| SpectraBase Spectrum ID |
GHo3VC4I6Kj |
| Name |
7-Benzylidene-cyclooctatriene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.109550451 u |
| Formula |
C15H14 |
| InChI |
InChI=1S/C15H14/c1-2-5-9-14(10-6-3-1)13-15-11-7-4-8-12-15/h1-9,11-13H,10H2/b2-1-,6-3-,9-5-,14-13+ |
| InChIKey |
ZHRVEXZCMITRNP-JIYPICNHSA-N |
| Molecular Weight |
194.277 g/mol |
| SMILES |
C1\C(\C=C/C=C\C=C/1)=C/C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816108 |