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2-Hydroxy-2-methyl-4-(methylsulfanyl)-6-hepten-3-one
SpectraBase Compound ID 4vb1lrIZb3n
InChI InChI=1S/C9H16O2S/c1-5-6-7(12-4)8(10)9(2,3)11/h5,7,11H,1,6H2,2-4H3
InChIKey ZAVIQFCWMNSLBP-UHFFFAOYSA-N
Mol Weight 188.28 g/mol
Molecular Formula C9H16O2S
Exact Mass 188.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2M4fdPkQBhi
Name 2-Hydroxy-2-methyl-4-(methylsulfanyl)-6-hepten-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2S
InChI InChI=1S/C9H16O2S/c1-5-6-7(12-4)8(10)9(2,3)11/h5,7,11H,1,6H2,2-4H3
InChIKey ZAVIQFCWMNSLBP-UHFFFAOYSA-N
Molecular Weight 188.285 g/mol
SMILES OC(C(=O)C(SC)CC=C)(C)C
SPLASH splash10-0a4i-9100000000-b042dd783ee52d06272d
Synonyms 2-Hydroxy-2-methyl-4-(methylthio)-6-hepten-3-one 2-Hydroxy-2-methyl-4-(methylthio)hept-6-en-3-one 2-Hydroxy-2-methyl-4-methylsulfanylhept-6-en-3-one 2-Methyl-4-methylsulfanyl-2-oxidanyl-hept-6-en-3-one
Wiley ID 1487432