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N-Isobutyl 3-(p-chlorophenyl)-(2)E-propenoicacid amide

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

N-Isobutyl 3-(p-chlorophenyl)-(2)E-propenoicacid amide
SpectraBase Compound ID DrficR9r9mF
InChI InChI=1S/C13H16ClNO/c1-10(2)9-15-13(16)8-5-11-3-6-12(14)7-4-11/h3-8,10H,9H2,1-2H3,(H,15,16)/b8-5+
InChIKey SDNIIFPDZBUGBD-VMPITWQZSA-N
Mol Weight 237.73 g/mol
Molecular Formula C13H16ClNO
Exact Mass 237.092042 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 19nfKaMYgFI
Name N-Isobutyl 3-(p-chlorophenyl)-(2)E-propenoicacid amide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 237.092041838 u
Formula C13H16ClNO
InChI InChI=1S/C13H16ClNO/c1-10(2)9-15-13(16)8-5-11-3-6-12(14)7-4-11/h3-8,10H,9H2,1-2H3,(H,15,16)/b8-5+
InChIKey SDNIIFPDZBUGBD-VMPITWQZSA-N
Molecular Weight 237.730 g/mol
SMILES C(\C=C\C=1C=CC(=CC1)Cl)(=O)NCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875359