| SpectraBase Spectrum ID |
DiSxzVNXmZi |
| Name |
6-Bromomethyl-2-dibromomethyl-3,5-diphenyl-4-H-pyran-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
509.846568657 u |
| Formula |
C19H13Br3O2 |
| InChI |
InChI=1S/C19H13Br3O2/c20-11-14-15(12-7-3-1-4-8-12)17(23)16(18(24-14)19(21)22)13-9-5-2-6-10-13/h1-10,19H,11H2 |
| InChIKey |
VHNSNCVKZGTLFW-UHFFFAOYSA-N |
| Molecular Weight |
513.023 g/mol |
| SMILES |
C=1(OC(=C(C(C1C1=CC=CC=C1)=O)C1=CC=CC=C1)CBr)C(Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867812 |
