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Pentanoic acid, oct-4-yl ester

View entire compound with spectra: 2 MS (GC)

Pentanoic acid, oct-4-yl ester
SpectraBase Compound ID 7wG25xuuiuY
InChI InChI=1S/C13H26O2/c1-4-7-10-12(9-6-3)15-13(14)11-8-5-2/h12H,4-11H2,1-3H3
InChIKey CCMQUTNEAVHSMK-UHFFFAOYSA-N
Mol Weight 214.35 g/mol
Molecular Formula C13H26O2
Exact Mass 214.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DPeOaJi9s6
Name Pentanoic acid, oct-4-yl ester
Alternate Name(s) 1-Propylpentyl pentanoate Octan-4-yl pentanoate Pentanoic acid octan-4-yl ester valeric acid 1-propylpentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O2
InChI InChI=1S/C13H26O2/c1-4-7-10-12(9-6-3)15-13(14)11-8-5-2/h12H,4-11H2,1-3H3
InChIKey CCMQUTNEAVHSMK-UHFFFAOYSA-N
Molecular Weight 214.349 g/mol
SMILES C(CC(OC(CCCC)=O)CCCC)C
SPLASH splash10-052u-9100000000-2f6d158aadd490bc89f7
Wiley ID 1494864