| SpectraBase Spectrum ID |
LASnJFqBqwL |
| Name |
2-Bromo-1,3-bis(dibromomethyl)-5-methoxybenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
525.641379844 u |
| Formula |
C9H7Br5O |
| InChI |
InChI=1S/C9H7Br5O/c1-15-4-2-5(8(11)12)7(10)6(3-4)9(13)14/h2-3,8-9H,1H3 |
| InChIKey |
FCLRJAIBYDSXLX-UHFFFAOYSA-N |
| Molecular Weight |
530.674 g/mol |
| SMILES |
C=1(C(=C(C(Br)Br)C=C(C1)OC)Br)C(Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826022 |
