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Butanoic acid 4-methylpentyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Butanoic acid 4-methylpentyl ester
SpectraBase Compound ID 5RbV6isFkgU
InChI InChI=1S/C10H20O2/c1-4-6-10(11)12-8-5-7-9(2)3/h9H,4-8H2,1-3H3
InChIKey XXRMPEBULHOCFH-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 D2V7HnvKKyH
Name Butanoic acid, 4-methylpentyl ester
CAS Registry Number 83471-19-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-6-10(11)12-8-5-7-9(2)3/h9H,4-8H2,1-3H3
InChIKey XXRMPEBULHOCFH-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES CCCC(=O)OCCCC(C)C
SPLASH splash10-00ec-9000000000-079f4027d6465262c957
Source of Spectrum NP-2-5882-0
Synonyms 4-Methylpentyl butyrate Butanoic acid 4-methylpentyl ester Isohexyl butanoate 4-Methylpentyl butanoate
Wiley ID 1101357