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BUTANOIC ACID, 3-OXO-, PENTYL ESTER
SpectraBase Compound ID 9Z7Pyp8fygj
InChI InChI=1S/C9H16O3/c1-3-4-5-6-12-9(11)7-8(2)10/h3-7H2,1-2H3
InChIKey IDZAUPYMMSSVHP-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3X9fXkd7ezo
Name Pentyl 3-oxobutanoate
Alternate Name(s) 3-ketobutyric acid amyl ester 3-Oxobutanoic acid pentyl ester Acetoacetic acid, n-amyl ester Pentyl 3-oxidanylidenebutanoate Pentyl acetoacetate
CAS Registry Number 6624-84-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-3-4-5-6-12-9(11)7-8(2)10/h3-7H2,1-2H3
InChIKey IDZAUPYMMSSVHP-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES CCCCCOC(=O)CC(C)=O
SPLASH splash10-0006-9000000000-68fb793cbf3a45a22661
Source of Spectrum LQ-1992-1870-0
Wiley ID 1168736