| SpectraBase Spectrum ID |
1AaOhZSqA0t |
| Name |
8-Bromo-6-methyl-2-phenylchromone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.994242592 u |
| Formula |
C16H11BrO2 |
| InChI |
InChI=1S/C16H11BrO2/c1-10-7-12-14(18)9-15(11-5-3-2-4-6-11)19-16(12)13(17)8-10/h2-9H,1H3 |
| InChIKey |
LFQUIMRDFUQOLK-UHFFFAOYSA-N |
| Molecular Weight |
315.166 g/mol |
| SMILES |
C1=2OC(=CC(C2C=C(C=C1Br)C)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89642 |
