| SpectraBase Spectrum ID |
JFHNrXbco2D |
| Name |
1-Phenyl-7-vinyltricyclo[4.1.0(2,7)]heptane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
196.125200515 u |
| Formula |
C15H16 |
| InChI |
InChI=1S/C15H16/c1-2-14-12-9-6-10-13(14)15(12,14)11-7-4-3-5-8-11/h2-5,7-8,12-13H,1,6,9-10H2 |
| InChIKey |
XMNIJARJQACBQX-UHFFFAOYSA-N |
| Molecular Weight |
196.293 g/mol |
| SMILES |
C12(C3CCCC2C13C=C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872544 |