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4-Oxoisophorone
SpectraBase Compound ID A5imleiP0sC
InChI InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3
InChIKey AYJXHIDNNLJQDT-UHFFFAOYSA-N
Mol Weight 152.19 g/mol
Molecular Formula C9H12O2
Exact Mass 152.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hkzz1uxEJjT
Name Keto-isophorone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O2
GC Oven Program Oven temp 250 oC, Splitless injector
InChI InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3
InChIKey AYJXHIDNNLJQDT-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202102434
Molecular Weight 152.193 g/mol
SMILES C1=C(C)C(C(C)(C)CC1=O)=O
SPLASH splash10-014j-9100000000-4b5f144a62a3c5c48acd
Source of Spectrum CSC-15-SM24-24-4
Wiley ID 1877521