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4-Chloro-N-(1-phenylbut-3-enyl)aniline

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

4-Chloro-N-(1-phenylbut-3-enyl)aniline
SpectraBase Compound ID FPgfKAbn7bf
InChI InChI=1S/C16H16ClN/c1-2-6-16(13-7-4-3-5-8-13)18-15-11-9-14(17)10-12-15/h2-5,7-12,16,18H,1,6H2
InChIKey UNQCEFAUOBWWQV-UHFFFAOYSA-N
Mol Weight 257.76 g/mol
Molecular Formula C16H16ClN
Exact Mass 257.097127 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8xXfHS3Ircg
Name 4-Chloro-N-(1-phenylbut-3-enyl)aniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.097127219 u
Formula C16H16ClN
InChI InChI=1S/C16H16ClN/c1-2-6-16(13-7-4-3-5-8-13)18-15-11-9-14(17)10-12-15/h2-5,7-12,16,18H,1,6H2
InChIKey UNQCEFAUOBWWQV-UHFFFAOYSA-N
Molecular Weight 257.764 g/mol
SMILES C=1(NC(CC=C)C=2C=CC=CC2)C=CC(=CC1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863552