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4-(3-Phenylpropoxy)but-2-enenitrile

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

4-(3-Phenylpropoxy)but-2-enenitrile
SpectraBase Compound ID B1oPDVQEgyc
InChI InChI=1S/C13H15NO/c14-10-4-5-11-15-12-6-9-13-7-2-1-3-8-13/h1-5,7-8H,6,9,11-12H2/b5-4+
InChIKey ZLMGQWXKROYUAY-SNAWJCMRSA-N
Mol Weight 201.27 g/mol
Molecular Formula C13H15NO
Exact Mass 201.115364 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1DcVZhBj1f
Name 4-(3-Phenylpropoxy)but-2-enenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 201.115364106 u
Formula C13H15NO
InChI InChI=1S/C13H15NO/c14-10-4-5-11-15-12-6-9-13-7-2-1-3-8-13/h1-5,7-8H,6,9,11-12H2/b5-4+
InChIKey ZLMGQWXKROYUAY-SNAWJCMRSA-N
Molecular Weight 201.269 g/mol
SMILES C(\C=C\COCCCC=1C=CC=CC1)#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869952