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Hexanoic acid butyl ester
SpectraBase Compound ID AqxnxeOArvJ
InChI InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3
InChIKey RPRPDTXKGSIXMD-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Ocrgz8eAQy
Name Hexanoic acid, butyl ester
Alternate Name(s) Butyl caproate Butyl ester of hexanoic acid Butyl hexanoate n-Butyl caproate n-Butyl hexanoate n-Butyl n-hexanoate n-Caproic acid n-butyl ester AI3-06129 BRN 1754426 EINECS 210-964-6 FEMA NO. 2201 NSC 4022
CAS Registry Number 626-82-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3
InChIKey RPRPDTXKGSIXMD-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES CCCCCC(=O)OCCCC
SPLASH splash10-054o-9100000000-edfb5faa0a77f2848f0e
Source of Spectrum UT-1990-1749-0
Wiley ID 1169006