SpectraBase Spectrum ID |
5Zz9O2QtpIc |
Name |
Ethanone, 1,2-bis(4-bromophenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
351.909840941 u |
Formula |
C14H10Br2O |
InChI |
InChI=1S/C14H10Br2O/c15-12-5-1-10(2-6-12)9-14(17)11-3-7-13(16)8-4-11/h1-8H,9H2 |
InChIKey |
WYQUUBFEYHCLJR-UHFFFAOYSA-N |
Molecular Weight |
354.041 g/mol |
SMILES |
C1(Br)=CC=C(C(CC2=CC=C(Br)C=C2)=O)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813643 |