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Heptanoic acid, butyl ester

View entire compound with spectra: 4 NMR, 5 FTIR, and 12 MS (GC)

Heptanoic acid, butyl ester
SpectraBase Compound ID EhOnhkJ4iBp
InChI InChI=1S/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3
InChIKey YPQSPODHFDGVAC-UHFFFAOYSA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E7pm3GX19Cj
Name HEPTANOIC ACID, BUTYL ESTER
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 186.161979946 u
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3
InChIKey YPQSPODHFDGVAC-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
Nominal Mass 186 u
Number of Peaks 55
SMILES C(CCCC(=O)OCCCC)CC
SPLASH splash10-0bvl-9200000000-afb65f7ef9db983dcbf7
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000379