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Hexanoic acid isopentyl ester
SpectraBase Compound ID BAN3isZzBIg
InChI InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3
InChIKey XVSZRAWFCDHCBP-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 JtcrJQJvfa8
Name HEXANOIC ACID, 3-METHYLBUTYL 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/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3
InChIKey XVSZRAWFCDHCBP-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
Nominal Mass 186 u
Number of Peaks 45
SMILES CCCCCC(OCCC(C)C)=O
SPLASH splash10-00dm-9000000000-d72f5ba856cef2f318aa
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000158