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2,4-Dihydroxy-2,4,5-trimethyl-5-hexen-3-one
SpectraBase Compound ID 2vclpLULcfX
InChI InChI=1S/C9H16O3/c1-6(2)9(5,12)7(10)8(3,4)11/h11-12H,1H2,2-5H3
InChIKey QTCAERCVAJHEAB-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lQOfeGa2K
Name 2,4,5-trimethyl-2,4-bis(oxidanyl)hex-5-en-3-one
CAS Registry Number 65599-19-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-6(2)9(5,12)7(10)8(3,4)11/h11-12H,1H2,2-5H3
InChIKey QTCAERCVAJHEAB-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES OC(C(C(O)(C)C)=O)(C(=C)C)C
SPLASH splash10-0a4u-9000000000-af08c369cefd7d5d873b
Source of Spectrum SB-31-905-0
Synonyms 2,4-Dihydroxy-2,4,5-trimethyl-5-hexen-3-one 2,4-Dihydroxy-2,4,5-trimethyl-hex-5-en-3-one
Wiley ID 1168693