| SpectraBase Spectrum ID |
DV4NolEzZ00 |
| Name |
Benzene, 2,3-bis(bromomethyl)-1,4-bis(dibromomethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
601.572628258 u |
| Formula |
C10H8Br6 |
| InChI |
InChI=1S/C10H8Br6/c11-3-7-5(9(13)14)1-2-6(10(15)16)8(7)4-12/h1-2,9-10H,3-4H2 |
| InChIKey |
NQZWBHDHRCOKPN-UHFFFAOYSA-N |
| Molecular Weight |
607.598 g/mol |
| SMILES |
C1(=C(C(C(Br)Br)=CC=C1C(Br)Br)CBr)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927236 |
