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Hexanoic acid pentyl ester

View entire compound with spectra: 5 NMR, 5 FTIR, and 14 MS (GC)

Hexanoic acid pentyl ester
SpectraBase Compound ID GQcKFT1ZQf3
InChI InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3
InChIKey WRFZKAGPPQGDDQ-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 7RXAiMycVfD
Name HEXANOIC ACID, PENTYL 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/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3
InChIKey WRFZKAGPPQGDDQ-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
Nominal Mass 186 u
Number of Peaks 57
SMILES C(CC)CCC(OCCCCC)=O
SPLASH splash10-006x-9100000000-b282af76a0bef509be90
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000394