SpectraBase Spectrum ID |
YlNoGlPsgT |
Name |
1,2-Diphenyltricyclo[3.1.0.0(2,4)]hexane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
232.125200515 u |
Formula |
C18H16 |
InChI |
InChI=1S/C18H16/c1-3-7-13(8-4-1)17-11-15(17)16-12-18(16,17)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2 |
InChIKey |
WVCJJZUUPYLMLJ-UHFFFAOYSA-N |
Molecular Weight |
232.326 g/mol |
SMILES |
C12(C3(CC3C1C2)C=1C=CC=CC1)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978749 |