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4-(1-(Benzyloxy)but-3-enyl)benzonitrile

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

4-(1-(Benzyloxy)but-3-enyl)benzonitrile
SpectraBase Compound ID 7cfTl0a8TFK
InChI InChI=1S/C18H17NO/c1-2-6-18(17-11-9-15(13-19)10-12-17)20-14-16-7-4-3-5-8-16/h2-5,7-12,18H,1,6,14H2
InChIKey FGJGUPSRFVHYLK-UHFFFAOYSA-N
Mol Weight 263.34 g/mol
Molecular Formula C18H17NO
Exact Mass 263.131014 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Agx69YWbSZc
Name 4-(1-(Benzyloxy)but-3-enyl)benzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.131014170 u
Formula C18H17NO
InChI InChI=1S/C18H17NO/c1-2-6-18(17-11-9-15(13-19)10-12-17)20-14-16-7-4-3-5-8-16/h2-5,7-12,18H,1,6,14H2
InChIKey FGJGUPSRFVHYLK-UHFFFAOYSA-N
Molecular Weight 263.340 g/mol
SMILES C(#N)C=1C=CC(=CC1)C(OCC=1C=CC=CC1)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918628