SpectraBase Spectrum ID |
FNS1t89lS9g |
Name |
Benzaldehyde, 3-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
334.020457340 u |
Formula |
C16H15BrO3 |
InChI |
InChI=1S/C16H15BrO3/c1-11-4-3-5-12(6-11)10-20-16-14(17)7-13(9-18)8-15(16)19-2/h3-9H,10H2,1-2H3 |
InChIKey |
MCRZEGYDSTZPBA-UHFFFAOYSA-N |
Molecular Weight |
335.197 g/mol |
SMILES |
C1=CC=C(C=C1COC1=C(C=C(C=O)C=C1Br)OC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951534 |