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4-Oxopentyl butyrate
SpectraBase Compound ID 5Piy74dRdJD
InChI InChI=1S/C9H16O3/c1-3-5-9(11)12-7-4-6-8(2)10/h3-7H2,1-2H3
InChIKey VSSOMYASXMOOHB-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 38q9Tu1Xr3H
Name 4-Oxopentyl butyrate
CAS Registry Number 58371-97-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-3-5-9(11)12-7-4-6-8(2)10/h3-7H2,1-2H3
InChIKey VSSOMYASXMOOHB-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES C(=O)(OCCCC(=O)C)CCC
SPLASH splash10-0006-9000000000-57fbfd4a7abb3522d56e
Source of Spectrum AD-0-2532-0
Synonyms 4-Oxidanylidenepentyl butanoate 4-Oxopentyl butanoate Butanoic acid 4-oxopentyl ester Butyric acid 4-ketopentyl ester
Wiley ID 1426862