SpectraBase Spectrum ID |
4eIeuI44sfW |
Name |
1-Naphthalenecarboxaldehyde, 3-(bromomethyl)-2-methyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
261.999327973 u |
Formula |
C13H11BrO |
InChI |
InChI=1S/C13H11BrO/c1-9-11(7-14)6-10-4-2-3-5-12(10)13(9)8-15/h2-6,8H,7H2,1H3 |
InChIKey |
PESIKUFMDZFBGG-UHFFFAOYSA-N |
Molecular Weight |
263.134 g/mol |
SMILES |
C=1(C(=C(CBr)C=C2C1C=CC=C2)C)C=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910107 |