Bmse000546 Cyclohexanecarboxylic Acid At BMRB

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Cyclohexanecarboxylic Acid (C7H12O2)Cyclohexanecarboxylic Acid bmse000546 - Data

View large 3D structure

BMRB entry bmse000546

Entry DOI: doi:10.13018/BMSE000546Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse000546.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse000546.mol

All files for

bmse000546

Time Domain Data:

bmse000546.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
C125.6671
C225.31831
C325.31831
C428.7481
C528.7481
C642.91231
C7182.7481
H101.64961
H111.64961
H121.26854
H131.76184
H141.26854
H151.26854
H161.45124
H171.94194
H181.45124
H191.45124
H202.32821

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: bmse000546_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: bmse000546_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: bmse000546_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: bmse000546_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: bmse000546_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: bmse000546_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: bmse000546_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: bmse000546_8.zip

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

Spectrum for experiment #9: 2D 1H-1H COSY Download time domain data: bmse000546_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: bmse000546_10.zip

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