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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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G6ieBUlzXP4
Name 3-Phenylpropyl isobutyrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W289302
CAS Registry Number 103-58-2
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
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 206.290 g/mol
Purity 98+%
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Hydrocinnamyl isobutyrate
Wiley ID SIAL_VP-FTIR_005175