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Heptanoic acid, 3-oxo-, methyl ester
SpectraBase Compound ID IrHscgJF7ZQ
InChI InChI=1S/C8H14O3/c1-3-4-5-7(9)6-8(10)11-2/h3-6H2,1-2H3
InChIKey CZTKGERSDUGZPQ-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ULsZoYXcZ4
Name Heptanoic acid, 3-oxo-, methyl ester
Alternate Name(s) 3-ketoenanthic acid methyl ester Methyl 3-oxoheptanoate 3-Oxoheptanoic acid methyl ester Methyl 3-oxidanylideneheptanoate
CAS Registry Number 39815-78-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-3-4-5-7(9)6-8(10)11-2/h3-6H2,1-2H3
InChIKey CZTKGERSDUGZPQ-UHFFFAOYSA-N
Molecular Weight 158.197 g/mol
SMILES C(=O)(CCCC)CC(=O)OC
SPLASH splash10-0gb9-0900000000-de2c9e8c04ffd7e4f4f3
Source of Spectrum C-108-7688-4
Wiley ID 1155223