| SpectraBase Spectrum ID |
3cNL3eDXOwn |
| Name |
1,3-Isobenzofurandione, 5,6-bis(bromomethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.868370050 u |
| Formula |
C10H6Br2O3 |
| InChI |
InChI=1S/C10H6Br2O3/c11-3-5-1-7-8(2-6(5)4-12)10(14)15-9(7)13/h1-2H,3-4H2 |
| InChIKey |
XBGMDHTUJCMEMN-UHFFFAOYSA-N |
| Molecular Weight |
333.963 g/mol |
| SMILES |
C(Br)C1=CC2=C(C=C1CBr)C(=O)OC2=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891559 |
