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5-Hydroxy-4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
SpectraBase Compound ID HDEQVBRrSTu
InChI InChI=1S/C9H14O3/c1-8(2)4-5(10)6-9(3,12-6)7(8)11/h6-7,11H,4H2,1-3H3
InChIKey LWCZGPHMQJSWCT-UHFFFAOYSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlSKmMjzn30
Name Isophorone oxide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
GC Oven Program Oven temp 250 oC, Splitless injector
InChI InChI=1S/C9H14O3/c1-8(2)4-5(10)6-9(3,12-6)7(8)11/h6-7,11H,4H2,1-3H3
InChIKey LWCZGPHMQJSWCT-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202102434
Molecular Weight 170.208 g/mol
SMILES OC1C2(OC2C(CC1(C)C)=O)C
SPLASH splash10-05o0-9100000000-bb3866ef0f28941006b4
Source of Spectrum CSC-15-SM24-24-5
Wiley ID 1877522