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Trans-N-(4-bromophenyl)-3-phenyloxirane-2-carboxamide

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

Trans-N-(4-bromophenyl)-3-phenyloxirane-2-carboxamide
SpectraBase Compound ID DUxqY3lKi9c
InChI InChI=1S/C15H12BrNO2/c16-11-6-8-12(9-7-11)17-15(18)14-13(19-14)10-4-2-1-3-5-10/h1-9,13-14H,(H,17,18)/t13-,14+/m0/s1
InChIKey BWFFNKQCCSIUMF-UONOGXRCSA-N
Mol Weight 318.17 g/mol
Molecular Formula C15H12BrNO2
Exact Mass 317.005142 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JUtDwvHjHzp
Name Trans-N-(4-bromophenyl)-3-phenyloxirane-2-carboxamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.005141628 u
Formula C15H12BrNO2
InChI InChI=1S/C15H12BrNO2/c16-11-6-8-12(9-7-11)17-15(18)14-13(19-14)10-4-2-1-3-5-10/h1-9,13-14H,(H,17,18)/t13-,14+/m0/s1
InChIKey BWFFNKQCCSIUMF-UONOGXRCSA-N
Molecular Weight 318.170 g/mol
SMILES C(NC1=CC=C(C=C1)Br)([C@]1([C@@](O1)(C1=CC=CC=C1)[H])[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930544