SpectraBase Spectrum ID |
7W9cr1JJfvR |
Name |
1,2,3-Triphenylcyclopenta[1]phenanthren-2-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
460.182715392 u |
Formula |
C35H24O |
InChI |
InChI=1S/C35H24O/c36-35(26-18-8-3-9-19-26)33(24-14-4-1-5-15-24)31-29-22-12-10-20-27(29)28-21-11-13-23-30(28)32(31)34(35)25-16-6-2-7-17-25/h1-23,36H |
InChIKey |
BTKQUWNBCLDMIU-UHFFFAOYSA-N |
Molecular Weight |
460.576 g/mol |
SMILES |
C=12C(=C(C3=CC=CC=C3)C(C1C=1C=CC=CC1)(C1=CC=CC=C1)O)C=1C=CC=CC1C1=C2C=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983943 |