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3- Phenylpropyl isobutyrate

View entire compound with spectra: 5 NMR, 6 FTIR, 1 Raman, and 6 MS (GC)

3- Phenylpropyl isobutyrate
SpectraBase Compound ID 4rHjD7utWpd
InChI InChI=1S/C13H18O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
InChIKey VBTAKMZSMFMLGT-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhDjv4drvuo
Name 3-Phenylpropyl 2-methylpropanoate
Alternate Name(s) 2-Methylpropanoic acid 3-phenylpropyl ester 2-Methylpropionic acid 3-phenylpropyl ester 3-Phenylpropyl isobutyrate Hydrocinnamyl 2-methylpropanoate Hydrocinnamyl isobutyrate Isobutyric acid, 3-phenylpropyl ester Phenylpropyl iso-butyrate Propanoic acid, 2-methyl-, 3-phenylpropyl ester BRN 2454387 EINECS 203-125-0 FEMA NO. 2893 NSC 404455
CAS Registry Number 103-58-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
InChIKey VBTAKMZSMFMLGT-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES C(=O)(OCCCc1ccccc1)C(C)C
SPLASH splash10-014i-4900000000-c0e82fde6d1196668ad5
Wiley ID 1482231