SpectraBase Spectrum ID |
38b70N1ktPq |
Name |
5-(Diphenylmethylene)-6-phenyltricyclo[2.2.1.0(2,6)]heptan-exo-3-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
350.167065327 u |
Formula |
C26H22O |
InChI |
InChI=1S/C26H22O/c27-25-20-16-21-24(25)26(21,19-14-8-3-9-15-19)23(20)22(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,20-21,24-25,27H,16H2 |
InChIKey |
MAHOLZSMFBGUNV-UHFFFAOYSA-N |
Molecular Weight |
350.461 g/mol |
SMILES |
C12(C3C(O)C(C2=C(C2=CC=CC=C2)C=2C=CC=CC2)CC13)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928603 |