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Heptanoic acid, isobutyl ester
SpectraBase Compound ID KDeHk6vHUJT
InChI InChI=1S/C11H22O2/c1-4-5-6-7-8-11(12)13-9-10(2)3/h10H,4-9H2,1-3H3
InChIKey HXJOYVPESRRCDB-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 F8GfjNK39EJ
Name 2-Methylpropyl heptanoate
CAS Registry Number 7779-80-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-4-5-6-7-8-11(12)13-9-10(2)3/h10H,4-9H2,1-3H3
InChIKey HXJOYVPESRRCDB-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
SMILES C(OCC(C)C)(CCCCCC)=O
SPLASH splash10-05fv-9000000000-fb4dfdb3ea39097a6abb
Source of Spectrum LQ-1992-1231-0
Synonyms enanthic acid isobutyl ester Heptanoic acid 2-methylpropyl ester Heptanoic acid, isobutyl ester iso-Butyl n-heptanoate Isobutyl heptanoate Isobutyl heptylate
Wiley ID 1183155