SpectraBase Spectrum ID |
8ZdUE90svsU |
Name |
4-Bromo-2'-hydroxy-4'-nitrochalcone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
346.979320802 u |
Formula |
C15H10BrNO4 |
InChI |
InChI=1S/C15H10BrNO4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17(20)21)9-15(13)19/h1-9,19H |
InChIKey |
PMTQCWDVWHIQGY-UHFFFAOYSA-N |
Molecular Weight |
348.152 g/mol |
SMILES |
OC1=C(C=CC(=C1)N(=O)=O)C(=O)C=CC1=CC=C(Br)C=C1 |
Spectrum/Structure Validation Score (Raman) |
0.926823 |