SpectraBase Spectrum ID |
8m1QL3LjEF2 |
Name |
(E/Z)-1-(Bromomethylene)-4-methoxyindan |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
237.999327973 u |
Formula |
C11H11BrO |
InChI |
InChI=1S/C11H11BrO/c1-13-11-4-2-3-9-8(7-12)5-6-10(9)11/h2-4,7H,5-6H2,1H3/b8-7+ |
InChIKey |
IDDISJMBGDWPKP-BQYQJAHWSA-N |
Molecular Weight |
239.112 g/mol |
SMILES |
C12=C(\C(=C\Br)CC2)C=CC=C1OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924273 |