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(1-Cyano-3-phenyl-propyl) benzoate

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

(1-Cyano-3-phenyl-propyl) benzoate
SpectraBase Compound ID BgU7DsuHeyv
InChI InChI=1S/C17H15NO2/c18-13-16(12-11-14-7-3-1-4-8-14)20-17(19)15-9-5-2-6-10-15/h1-10,16H,11-12H2
InChIKey KPHRYNNXWHVWQP-UHFFFAOYSA-N
Mol Weight 265.31 g/mol
Molecular Formula C17H15NO2
Exact Mass 265.110279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 39bMxpqzeWD
Name (1-Cyano-3-phenyl-propyl) benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 265.110278725 u
Formula C17H15NO2
InChI InChI=1S/C17H15NO2/c18-13-16(12-11-14-7-3-1-4-8-14)20-17(19)15-9-5-2-6-10-15/h1-10,16H,11-12H2
InChIKey KPHRYNNXWHVWQP-UHFFFAOYSA-N
Molecular Weight 265.312 g/mol
SMILES C(C(CCC=1C=CC=CC1)OC(C=1C=CC=CC1)=O)#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.801831