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3-Oxo-4-methylpentanoic acid, methyl ester, enol form
SpectraBase Compound ID BhwGeq1SJ2t
InChI InChI=1S/C7H12O3/c1-5(2)6(8)4-7(9)10-3/h4-5,9H,1-3H3/b7-4+
InChIKey VVSYFYNUAMVKQE-QPJJXVBHSA-N
Mol Weight 144.17 g/mol
Molecular Formula C7H12O3
Exact Mass 144.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVnPTFu0a6o
Name 3-Oxo-4-methylpentanoic acid, methyl ester, enol form
Alternate Name(s) (1E)-1-Hydroxy-1-methoxy-4-methyl-1-penten-3-one 3-keto-4-methyl-valeric acid methyl ester
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O3
InChI InChI=1S/C7H12O3/c1-5(2)6(8)4-7(9)10-3/h4-5,9H,1-3H3/b7-4+
InChIKey VVSYFYNUAMVKQE-QPJJXVBHSA-N
Molecular Weight 144.170 g/mol
SMILES O\C(OC)=C/C(=O)C(C)C
SPLASH splash10-0gbc-9300000000-cc97108ffacc3b1719fe
Wiley ID 1476892