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(E)-6-keto-6-methoxy-4-methyl-hex-2-enoic acid
SpectraBase Compound ID 4IzolRvACv4
InChI InChI=1S/C8H12O4/c1-6(3-4-7(9)10)5-8(11)12-2/h3-4,6H,5H2,1-2H3,(H,9,10)/b4-3+
InChIKey LKPCREFCOURSFD-ONEGZZNKSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJCRjeWmVx
Name (E)-6-keto-6-methoxy-4-methyl-hex-2-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-6(3-4-7(9)10)5-8(11)12-2/h3-4,6H,5H2,1-2H3,(H,9,10)/b4-3+
InChIKey LKPCREFCOURSFD-ONEGZZNKSA-N
Molecular Weight 172.180 g/mol
SMILES OC(\C=C\C(CC(=O)OC)C)=O
SPLASH splash10-006y-9600000000-a1410806e6ecb2e01d01
Source of Spectrum F-50-6719-3
Synonyms (E)-6-methoxy-4-methyl-6-oxidanylidene-hex-2-enoic acid (E)-6-methoxy-4-methyl-6-oxo-2-hexenoic acid (E)-6-methoxy-4-methyl-6-oxo-hex-2-enoic acid
Wiley ID 1168514