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2,4-Dimethylcyclohept-4-ene-1,3-dione
SpectraBase Compound ID DyxxEqSqmfR
InChI InChI=1S/C9H12O2/c1-6-4-3-5-8(10)7(2)9(6)11/h4,7H,3,5H2,1-2H3/t7-/m1/s1
InChIKey CQSQIJYAZNAKGA-SSDOTTSWSA-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 3uksYPwOcCg
Name 2,4-Dimethylcyclohept-4-ene-1,3-dione
Alternate Name(s) 2,4-Dimethylcyclohept-4-ene-1,3-quinone (2R)-2,4-dimethylcyclohept-4-ene-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O2
InChI InChI=1S/C9H12O2/c1-6-4-3-5-8(10)7(2)9(6)11/h4,7H,3,5H2,1-2H3/t7-/m1/s1
InChIKey CQSQIJYAZNAKGA-SSDOTTSWSA-N
Molecular Weight 152.193 g/mol
SMILES C1([C@@](C(=O)CCC=C1C)(C)[H])=O
SPLASH splash10-0ldi-9500000000-44d0033a981d1448981e
Source of Spectrum F-48-6031-11
Wiley ID 1149156