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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 F5msivgcO44
Name Isobutyl heptanoate
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
Ionization Type EI-B
Molecular Weight 186.295 g/mol
SMILES CCCCCCC(=O)OCC(C)C
SPLASH splash10-0btc-9200000000-0dad1d877ba60eb1653b
Source of Spectrum SRH-2022-6543-0
Synonyms 2-Methylpropyl heptanoate
Wiley ID 1828373