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5,5'-Diphenylspiro[thioxanthene-9,4'-[1,3]dithiolane]

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

5,5'-Diphenylspiro[thioxanthene-9,4'-[1,3]dithiolane]
SpectraBase Compound ID IInvqpNNJ4p
InChI InChI=1S/C27H20S3/c1-3-10-19(11-4-1)21-14-9-16-23-25(21)30-24-17-8-7-15-22(24)27(23)26(28-18-29-27)20-12-5-2-6-13-20/h1-17,26H,18H2
InChIKey RYXRPRQMKCLERI-UHFFFAOYSA-N
Mol Weight 440.64 g/mol
Molecular Formula C27H20S3
Exact Mass 440.072714 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G3M4kuWAde7
Name 5,5'-Diphenylspiro[thioxanthene-9,4'-[1,3]dithiolane]
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.072714166 u
Formula C27H20S3
InChI InChI=1S/C27H20S3/c1-3-10-19(11-4-1)21-14-9-16-23-25(21)30-24-17-8-7-15-22(24)27(23)26(28-18-29-27)20-12-5-2-6-13-20/h1-17,26H,18H2
InChIKey RYXRPRQMKCLERI-UHFFFAOYSA-N
Molecular Weight 440.637 g/mol
SMILES C12(C=3C=CC=CC3SC=3C(=CC=CC13)C=1C=CC=CC1)SCSC2C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.850481