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(2E)-4-(3-Phenylpropoxy)pent-2-enenitrile

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

(2E)-4-(3-Phenylpropoxy)pent-2-enenitrile
SpectraBase Compound ID FVg1fQ7bNkv
InChI InChI=1S/C14H17NO/c1-13(7-5-11-15)16-12-6-10-14-8-3-2-4-9-14/h2-5,7-9,13H,6,10,12H2,1H3/b7-5+
InChIKey HELJWOQVGNMHNY-FNORWQNLSA-N
Mol Weight 215.3 g/mol
Molecular Formula C14H17NO
Exact Mass 215.131014 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5yWt8TSheL7
Name (2E)-4-(3-Phenylpropoxy)pent-2-enenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 215.131014170 u
Formula C14H17NO
InChI InChI=1S/C14H17NO/c1-13(7-5-11-15)16-12-6-10-14-8-3-2-4-9-14/h2-5,7-9,13H,6,10,12H2,1H3/b7-5+
InChIKey HELJWOQVGNMHNY-FNORWQNLSA-N
Molecular Weight 215.296 g/mol
SMILES C(\C=C\C(C)OCCCC=1C=CC=CC1)#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86623