| SpectraBase Spectrum ID |
LanSnybUK8l |
| Name |
3-Methoxy-4'-bromochalcone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.009892657 u |
| Formula |
C16H13BrO2 |
| InChI |
InChI=1S/C16H13BrO2/c1-19-15-4-2-3-12(11-15)5-10-16(18)13-6-8-14(17)9-7-13/h2-11H,1H3/b10-5+ |
| InChIKey |
GFECHTODZQBLOA-BJMVGYQFSA-N |
| Molecular Weight |
317.182 g/mol |
| SMILES |
C=1(OC)C=C(\C=C\C(=O)C2=CC=C(Br)C=C2)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890642 |
