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(E)-5,5-dimethyl-6-oxo-2-hexenoic acid methyl ester
SpectraBase Compound ID DqngF835Eud
InChI InChI=1S/C9H14O3/c1-9(2,7-10)6-4-5-8(11)12-3/h4-5,7H,6H2,1-3H3/b5-4+
InChIKey MKRHNTQSYMFQKY-SNAWJCMRSA-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 BgUL0RvWQSy
Name (E)-5,5-dimethyl-6-oxo-2-hexenoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-9(2,7-10)6-4-5-8(11)12-3/h4-5,7H,6H2,1-3H3/b5-4+
InChIKey MKRHNTQSYMFQKY-SNAWJCMRSA-N
Molecular Weight 170.208 g/mol
SMILES C(\C=C\CC(C=O)(C)C)(=O)OC
SPLASH splash10-05a9-4900000000-df692a695a0da72f1126
Source of Spectrum D1-2003-808-0
Synonyms (E)-6-keto-5,5-dimethyl-hex-2-enoic acid methyl ester Methyl (E)-5,5-dimethyl-6-oxidanylidene-hex-2-enoate Methyl (E)-5,5-dimethyl-6-oxo-hex-2-enoate
Wiley ID 1548333