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Butanoic acid, pentyl ester

View entire compound with spectra: 5 NMR, 10 FTIR, and 23 MS (GC)

Butanoic acid, pentyl ester
SpectraBase Compound ID BqMEQ5wVsvt
InChI InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3
InChIKey CFNJLPHOBMVMNS-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NsnuNax2E6
Name BUTANOIC 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 158.130679818 u
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3
InChIKey CFNJLPHOBMVMNS-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
Nominal Mass 158 u
Number of Peaks 29
SMILES CCCC(OCCCCC)=O
SPLASH splash10-00dl-9000000000-b56058f5b4c136f59546
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000358