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(4b.alpha.,8b.beta.,12b.alpha.,16b.beta.)-4b,12b;8b,16b-Bis(1,4-dithiabutano)-4b,8b,12b,16b-tetrahydrodibenzo[a,f]dibenzo[2,3:4,5]pentaleno[1,6-cd]pentalene

View entire compound with spectra: 1 FTIR

(4b.alpha.,8b.beta.,12b.alpha.,16b.beta.)-4b,12b;8b,16b-Bis(1,4-dithiabutano)-4b,8b,12b,16b-tetrahydrodibenzo[a,f]dibenzo[2,3:4,5]pentaleno[1,6-cd]pentalene
SpectraBase Compound ID F4KxL14iqXi
InChI InChI=1S/C33H24S4/c1-2-10-22-21(9-1)29-23-11-3-4-12-24(23)31-27-15-7-8-16-28(27)32(36-18-17-34-29)26-14-6-5-13-25(26)30(22,33(29,31)32)35-19-20-37-31/h1-16H,17-20H2/t29-,30+,31-,32+,33-
InChIKey XXRAUDHJFXOSGQ-PBAVWIDCSA-N
Mol Weight 548.8 g/mol
Molecular Formula C33H24S4
Exact Mass 548.076085 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fpn9271klHq
Name (4B.alpha.,8B.beta.,12B.alpha.,16B.beta.)-4B,12B;8B,16B-bis(1,4-Dithiabutano)-4B,8B,12B,16B-tetrahydrodibenzo[A,F]dibenzo[2,3:4,5]pentaleno[1,6-cd]pentalene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 548.076085469 u
Formula C33H24S4
InChI InChI=1S/C33H24S4/c1-2-10-22-21(9-1)29-23-11-3-4-12-24(23)31-27-15-7-8-16-28(27)32(36-18-17-34-29)26-14-6-5-13-25(26)30(22,33(29,31)32)35-19-20-37-31/h1-16H,17-20H2/t29-,30+,31-,32+,33-
InChIKey XXRAUDHJFXOSGQ-PBAVWIDCSA-N
Molecular Weight 548.795 g/mol
SMILES C123[C@]45C6=CC=CC=C6[C@]33C6=CC=CC=C6[C@@]1(C1=CC=CC=C1[C@@]2(C1=CC=CC=C51)SCCS3)SCCS4
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951954