SpectraBase Spectrum ID |
1L9LOOhe9lk |
Name |
Dibromide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
501.999049868 u |
Formula |
C20H24Br2O5 |
InChI |
InChI=1S/C20H24Br2O5/c21-9-11-24-17-5-1-3-7-19(17)26-15-13-23-14-16-27-20-8-4-2-6-18(20)25-12-10-22/h1-8H,9-16H2 |
InChIKey |
CDAMGVPHMZFQGE-UHFFFAOYSA-N |
Molecular Weight |
504.215 g/mol |
SMILES |
C1(=C(OCCBr)C=CC=C1)OCCOCCOC1=C(OCCBr)C=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904513 |