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3-Methyl-2-hexenoic acid - monomethylester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-Methyl-2-hexenoic acid - monomethylester
SpectraBase Compound ID D278akAlwUq
InChI InChI=1S/C8H12O4/c1-6(3-4-7(9)10)5-8(11)12-2/h5H,3-4H2,1-2H3,(H,9,10)/b6-5-
InChIKey RAINULREJUIOIW-WAYWQWQTSA-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 2kLIPABumf9
Name 3-Methyl-2-hexenoic acid - monomethylester
Copyright Copyright © 2020-2025 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/h5H,3-4H2,1-2H3,(H,9,10)/b6-5-
InChIKey RAINULREJUIOIW-WAYWQWQTSA-N
Molecular Weight 172.180 g/mol
SMILES OC(CC\C(=C/C(=O)OC)C)=O
SPLASH splash10-006y-9700000000-a8a394a92317a67f58d6
Source of Spectrum SK-21-709-6
Synonyms (4Z)-6-methoxy-4-methyl-6-oxo-4-hexenoic acid
Wiley ID 851718