| SpectraBase Spectrum ID |
AdPeYkgqsg4 |
| Name |
2-Methyltricyclo[6.2.2.0(2,7)]dodeca-3,5,9-triene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
172.125200515 u |
| Formula |
C13H16 |
| InChI |
InChI=1S/C13H16/c1-13-9-3-2-4-12(13)10-5-7-11(13)8-6-10/h2-5,7,9-12H,6,8H2,1H3 |
| InChIKey |
ZFFHTINJYBSFKP-UHFFFAOYSA-N |
| Molecular Weight |
172.271 g/mol |
| SMILES |
C12(C(C3C=CC2CC3)C=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961829 |
![2-Methyltricyclo[6.2.2.0(2,7)]dodeca-3,5,9-triene](/api/spectrum/AdPeYkgqsg4/structure.png?h=300&w=458 "2-Methyltricyclo[6.2.2.0(2,7)]dodeca-3,5,9-triene")
