SpectraBase Spectrum ID |
F6hliPSxWt0 |
Name |
1-Methyl-2-(tricyclo-[4.1.0.0(2,7)]-hept-1-yl)-benzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
184.125200515 u |
Formula |
C14H16 |
InChI |
InChI=1S/C14H16/c1-9-5-2-3-6-10(9)14-11-7-4-8-12(14)13(11)14/h2-3,5-6,11-13H,4,7-8H2,1H3/t11-,12+,13-,14+ |
InChIKey |
AJSBFMFQBTWSDS-KPWCQOOUSA-N |
Molecular Weight |
184.282 g/mol |
SMILES |
C1=CC(=C([C@]23[C@]4([C@@]3(CCC[C@@]24[H])[H])[H])C=C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918831 |