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all-cis-1,2,3-Triphenyl-2,3-dihydro-1H-cyclopenta-[L]-phenanthrene
SpectraBase Compound ID 67SsjknNVEB
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
Mol Weight 446.6 g/mol
Molecular Formula C35H26
Exact Mass 446.203451 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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