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Heptanoic acid, 1,1-dimethylethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Heptanoic acid, 1,1-dimethylethyl ester
SpectraBase Compound ID H5DXiZH5VFW
InChI InChI=1S/C11H22O2/c1-5-6-7-8-9-10(12)13-11(2,3)4/h5-9H2,1-4H3
InChIKey WLUUTGIJNRNHRF-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 Lq120DqQlBy
Name tert-Butyl heptanoate
CAS Registry Number 41084-78-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-5-6-7-8-9-10(12)13-11(2,3)4/h5-9H2,1-4H3
InChIKey WLUUTGIJNRNHRF-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
SMILES C(=O)(CCCCCC)OC(C)(C)C
SPLASH splash10-0a4l-9000000000-b200212bbd91023772a0
Synonyms enanthic acid tert-butyl ester Heptanoic acid tert-butyl ester Heptanoic acid, 1,1-dimethylethyl ester
Wiley ID 1494714