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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 3j8ayS0RYjy
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
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.77
Molecular Weight 186.295 g/mol
SMILES C(C(C)C)OC(CCCCCC)=O
SPLASH splash10-03di-5900000000-a667dc543b61f285d136
Source of Spectrum BJO-14-SM5-40
Wiley ID 1845843