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4'-Bromo-4-phenylbutyranilide

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

4'-Bromo-4-phenylbutyranilide
SpectraBase Compound ID 6Rnq5CtmupY
InChI InChI=1S/C16H16BrNO/c17-14-9-11-15(12-10-14)18-16(19)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H,18,19)
InChIKey PFYALFMAGZUDDX-UHFFFAOYSA-N
Mol Weight 318.21 g/mol
Molecular Formula C16H16BrNO
Exact Mass 317.041527 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H7SP7O9WjqU
Name 4'-Bromo-4-phenylbutyranilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.041527138 u
Formula C16H16BrNO
InChI InChI=1S/C16H16BrNO/c17-14-9-11-15(12-10-14)18-16(19)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2,(H,18,19)
InChIKey PFYALFMAGZUDDX-UHFFFAOYSA-N
Molecular Weight 318.214 g/mol
SMILES C(NC1=CC=C(C=C1)Br)(=O)CCCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.834666