SpectraBase Spectrum ID |
IcaKROMPdbx |
Name |
Benzene, 1-[(2-bromophenoxy)methyl]-3,4-dimethoxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
322.020457340 u |
Formula |
C15H15BrO3 |
InChI |
InChI=1S/C15H15BrO3/c1-17-14-8-7-11(9-15(14)18-2)10-19-13-6-4-3-5-12(13)16/h3-9H,10H2,1-2H3 |
InChIKey |
BMSFMGIVCMGUOF-UHFFFAOYSA-N |
Molecular Weight |
323.186 g/mol |
SMILES |
C1(=CC=CC=C1OCC1=CC=C(OC)C(=C1)OC)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884307 |