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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 JIVLqlB5DNI
Name Propyl isobutyrate
CAS Registry Number 644-49-5
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 130.099379689 u
Formula C7H14O2
InChI InChI=1S/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3
InChIKey AZFUASHXSOTBNU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 130.187 g/mol
Nominal Mass 130 u
Quality 1000
Retention Index 890
SMILES C(C(C)C)(OCCC)=O
SPLASH splash10-0006-9000000000-338b43a7cdc9e925c7fd
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Isobutyric acid propyl ester Propyl 2-methylpropanoate
Technique GC/MS
Wiley ID DD2024_022155