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3,5,5-Trimethyl-2-cyclohexen-1-one

View entire compound with spectra: 46 NMR, 18 FTIR, 2 Raman, 1 UV-Vis, 34 MS (GC), and 2 Near IR

3,5,5-Trimethyl-2-cyclohexen-1-one
SpectraBase Compound ID ClwX0E72fmw
InChI InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
InChIKey HJOVHMDZYOCNQW-UHFFFAOYSA-N
Mol Weight 138.21 g/mol
Molecular Formula C9H14O
Exact Mass 138.104465 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bl8Qteyuhml
Name Isophorone
Source of Sample Fluka AG, Buchs, Switzerland
Boiling Point 215.2C
CAS Registry Number 78-59-1
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O
InChI InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
InChIKey HJOVHMDZYOCNQW-UHFFFAOYSA-N
Melting Point -80C
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 3,5,5-Trimethyl-2-cyclohexen-1-one
Web Link http://www.cdc.gov/niosh/npg/npgd0355.html