SpectraBase Spectrum ID |
LeDxDM6Xrth |
Name |
[4-(Benzyloxy)-2-bromo-5-methoxyphenyl]methanol |
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/c1-18-14-7-12(9-17)13(16)8-15(14)19-10-11-5-3-2-4-6-11/h2-8,17H,9-10H2,1H3 |
InChIKey |
QIBAIRHXPRWLHK-UHFFFAOYSA-N |
Molecular Weight |
323.186 g/mol |
SMILES |
C1(Br)=C(C=C(C(=C1)OCC1=CC=CC=C1)OC)CO |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911674 |