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Isobutyric acid propyl ester
SpectraBase Compound ID Ine9qb7OTxa
InChI InChI=1S/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3
InChIKey AZFUASHXSOTBNU-UHFFFAOYSA-N
Mol Weight 130.19 g/mol
Molecular Formula C7H14O2
Exact Mass 130.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C4EkhpWDRij
Name Propanoic acid, 2-methyl-, propyl ester
CAS Registry Number 644-49-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O2
InChI InChI=1S/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3
InChIKey AZFUASHXSOTBNU-UHFFFAOYSA-N
Molecular Weight 130.187 g/mol
SMILES C(C(C)C)(OCCC)=O
SPLASH splash10-0006-9000000000-94ddbc9b0fa164d96699
Source of Spectrum NP-16-8470-0
Synonyms Propyl 2-methylpropanoate 2-Methylpropanoic acid propyl ester 2-Methylpropionic acid propyl ester Isobutyric acid n-propyl ester Isobutyric acid, propyl ester n-Propyl 2-methylpropanoate n-Propyl isobutyrate Propyl isobutyrate AI3-06018 EINECS 211-417-4 FEMA NO. 2936
Wiley ID 1096926