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2-Cyclohexene-1,4-dione, 2-hydroxy-3,5,5-trimethyl-
SpectraBase Compound ID BV39ZIBsPOX
InChI InChI=1S/C9H12O3/c1-5-7(11)6(10)4-9(2,3)8(5)12/h11H,4H2,1-3H3
InChIKey BSRFZJMVFOPNKR-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcqSIJt4TvR
Name 2-Cyclohexene-1,4-dione, 2-hydroxy-3,5,5-trimethyl-
CAS Registry Number 35692-98-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-5-7(11)6(10)4-9(2,3)8(5)12/h11H,4H2,1-3H3
InChIKey BSRFZJMVFOPNKR-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES OC1=C(C(C(CC1=O)(C)C)=O)C
SPLASH splash10-0arr-9600000000-517ce94219b9ef5ca75b
Source of Spectrum H-64-2442-0
Synonyms 2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1,4-dione 2-Hydroxy-3,5,5-trimethyl-cyclohex-2-ene-1,4-dione 2-Hydroxy-3,5,5-trimethyl-cyclohex-2-ene-1,4-quinone 3,5,5-trimethyl-2-oxidanyl-cyclohex-2-ene-1,4-dione
Wiley ID 1164316