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Pentanoic acid, 3-methylbutyl ester

View entire compound with spectra: 13 MS (GC)

Pentanoic acid, 3-methylbutyl ester
SpectraBase Compound ID GxQVDSMfVr4
InChI InChI=1S/C10H20O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9H,4-8H2,1-3H3
InChIKey UBLAMKHIFZBBSS-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 190tjGCdyS
Name Pentanoic acid, 3-methylbutyl ester
Alternate Name(s) Isopentyl pentanoate 3-Methylbutyl pentanoate 3-Methylbutyl valerate iso-Amyl N-valerate Isoamyl valerate Isopentyl valerate Pentanoic acid 3-methylbutyl ester valeric acid isoamyl ester Valeric acid, 3-methylbutyl ester AI3-24391 EINECS 218-081-8
CAS Registry Number 2050-09-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9H,4-8H2,1-3H3
InChIKey UBLAMKHIFZBBSS-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES CC(CCOC(=O)CCCC)C
SPLASH splash10-059f-9000000000-067cd8ff7d194b533914
Source of Spectrum LQ-1992-33-0
Wiley ID 1169142