SpectraBase Spectrum ID |
6jv3RGXZhVv |
Name |
all-cis-1,2,3-Triphenyl-2,3-dihydro-1H-cyclopenta-[L]-phenanthrene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
446.203450837 u |
Formula |
C35H26 |
InChI |
InChI=1S/C35H26/c1-4-14-24(15-5-1)31-32(25-16-6-2-7-17-25)34-29-22-12-10-20-27(29)28-21-11-13-23-30(28)35(34)33(31)26-18-8-3-9-19-26/h1-23,31-33H/t31-,32+,33- |
InChIKey |
ZLLOYYLNXXESPX-VZRBIBDDSA-N |
Molecular Weight |
446.593 g/mol |
SMILES |
C=1C([C@@]2([C@]([C@@](C3=C4C=CC=CC4=C4C=CC=CC4=C23)(C2=CC=CC=C2)[H])(C2=CC=CC=C2)[H])[H])=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967835 |