SpectraBase Spectrum ID |
rMB8WREP7L |
Name |
9,10[1',2']-Benzenoanthracene, 9,10-dihydro-9-phenyl-10-(phenylmethyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
420.187800773 u |
Formula |
C33H24 |
InChI |
InChI=1S/C33H24/c1-3-13-24(14-4-1)23-32-26-17-7-10-20-29(26)33(25-15-5-2-6-16-25,30-21-11-8-18-27(30)32)31-22-12-9-19-28(31)32/h1-22H,23H2 |
InChIKey |
GTASOBBQRNLBQI-UHFFFAOYSA-N |
Molecular Weight |
420.555 g/mol |
SMILES |
C12(C3=C(C=CC=C3)C(C=3C1=CC=CC3)(C1=CC=CC=C1)C1=C2C=CC=C1)CC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984905 |