| SpectraBase Spectrum ID |
42MgjSM4SbQ |
| Name |
1-(3,4-Dimethoxybenzyl)-6-bromoveratrole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.046672088 u |
| Formula |
C17H19BrO4 |
| InChI |
InChI=1S/C17H19BrO4/c1-19-14-6-5-11(8-15(14)20-2)7-12-9-16(21-3)17(22-4)10-13(12)18/h5-6,8-10H,7H2,1-4H3 |
| InChIKey |
DGZIXGIHSNMSRZ-UHFFFAOYSA-N |
| Molecular Weight |
367.239 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)OC)OC)Br)CC=1C=C(OC)C(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972907 |
