Bmse001274 Isophorone At BMRB

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Isophorone (C9H14O)Isophorone bmse001274 - Data

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BMRB entry bmse001274

Entry DOI: doi:10.13018/BMSE001274Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001274.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse001274.mol

All files for

bmse001274

Time Domain Data:

bmse001274.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1Sample: 100mM in Chloroform-d, ref: TMSConditions: temperature: 298KSpectrometer: Bruker Avance III - 500MHz

Atom IDValueAmbiguity Code
C124.53641
C228.29181
C328.29181
C4125.46151
C545.22021
C650.73681
C7160.35031
C8199.95811
C933.51981
H111.93141
H121.93141
H131.93141
H141.02981
H151.02981
H161.02981
H171.02981
H181.02981
H191.02981
H205.87691
H212.15891
H222.15891
H232.18371
H242.18371

NMR experiments

1: 1D 1HSample: 100mM in Chloroform-d, ref: TMSConditions: temperature: 298KSpectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #1: 1D 1H Download time domain data: bmse001274_1.zip

2: 2D 1H-1H TOCSYSample: 100mM in Chloroform-d, ref: TMSConditions: temperature: 298KSpectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #2: 2D 1H-1H TOCSY Download time domain data: bmse001274_2.zip

3: 1D 13CSample: 100mM in Chloroform-d, ref: TMSConditions: temperature: 298KSpectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #3: 1D 13C Download time domain data: bmse001274_3.zip

4: 1D DEPT90Sample: 100mM in Chloroform-d, ref: TMSConditions: temperature: 298KSpectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #4: 1D DEPT90 Download time domain data: bmse001274_4.zip

5: 1D DEPT135Sample: 100mM in Chloroform-d, ref: TMSConditions: temperature: 298KSpectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #5: 1D DEPT135 Download time domain data: bmse001274_5.zip

6: 2D 1H-13C HSQCSample: 100mM in Chloroform-d, ref: TMSConditions: temperature: 298KSpectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #6: 2D 1H-13C HSQC Download time domain data: bmse001274_6.zip

7: 2D 1H-13C HSQC SW smallSample: 100mM in Chloroform-d, ref: TMSConditions: temperature: 298KSpectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001274_7.zip

8: 2D 1H-13C HMBCSample: 100mM in Chloroform-d, ref: TMSConditions: temperature: 298KSpectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #8: 2D 1H-13C HMBC Download time domain data: bmse001274_8.zip

9: 2D 1H-1H COSYSample: 100mM in Chloroform-d, ref: TMSConditions: temperature: 298KSpectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001274_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIASample: 100mM in Chloroform-d, ref: TMSConditions: temperature: 298KSpectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #10: 2D 1H-13C HSQC-TOCSY-ADIA Download time domain data: bmse001274_10.zip

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