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Butyl levulinate
SpectraBase Compound ID G6sEjvfSU9N
InChI InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3
InChIKey ISBWNEKJSSLXOD-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 F3nUVfSb9Qp
Name 4-Ketopentanoic acid butyl ester
Alternate Name(s) 4-ketovaleric acid butyl ester Pentanoic acid, 4-oxo-, butyl ester 4-Oxopentanoic acid butyl ester Butyl 4-ketovalerate Butyl 4-oxidanylidenepentanoate Butyl 4-oxopentanoate Butyl acetylpropionate Butyl laevulinate Butyl levulinate Levulinic acid n-butyl ester Levulinic acid, butyl ester n-Butyl 4-oxopentanoate n-Butyl laevulinate n-Butyl levulinate AI3-00518 BRN 1768453 EINECS 218-143-4 FEMA NO. 2207 NSC 78451
CAS Registry Number 2052-15-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3
InChIKey ISBWNEKJSSLXOD-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES C(=O)(CCC(=O)C)OCCCC
SPLASH splash10-052f-9000000000-294e70bd1d460951a7c5
Source of Spectrum LQ-1992-1235-0
Wiley ID 1168733