Isophorone - The NIST WebBook

Isophorone

• Formula: C9H14O
• Molecular weight: 138.2069
• IUPAC Standard InChI: InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3 Copy
• IUPAC Standard InChIKey: HJOVHMDZYOCNQW-UHFFFAOYSA-N Copy
• CAS Registry Number: 78-59-1
• Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file The 3d structure may be viewed using Java or Javascript.
• Other names: 2-Cyclohexen-1-one, 3,5,5-trimethyl-; α-Isophoron; α-Isophorone; Isoacetophorone; Isoforon; Isophoron; 3,5,5-Trimethyl-2-cyclohexenone; 3,5,5-Trimethylcyclohexen-2-one-1; 3,5,5-Trimethylcyclohex-2-enone; Isoforone; Izoforon; NCI-C55618; 1,1,3-Trimethyl-3-cyclohexene-5-one; 3,5,5-Trimethyl-2-cyclohexen-1-on; 3,5,5-Trimethyl-2-cyclohexen-1-one; 3,5,5-Trimethyl-2-cyclohexene-1-one; 3,5,5-Trimetil-2-cicloesen-1-one; 3,3,5-Trimethyl-2-cyclohexen-1-one; 3,5,5-trimethylcyclohex-2-en-1-one; NSC 403657
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• Information on this page:
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
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  • Phase change data
  • Henry's Law data
  • Gas phase ion energetics data
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Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

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Additional Data

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Owner	NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Origin	NIST Mass Spectrometry Data Center, 1998.
NIST MS number	291389

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References

Go To: Top, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

No reference data available.

Notes

Go To: Top, Mass spectrum (electron ionization), References

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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