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9-[4'-(Benzoylsulfanyl)-5'-methyl-1',3'-dithiol-2'-ylidene)-10-[4",5"-dimethyl-1",3"-dithiol-2"-ylidene)-9,10-dihydroanthracene

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

9-[4'-(Benzoylsulfanyl)-5'-methyl-1',3'-dithiol-2'-ylidene)-10-[4",5"-dimethyl-1",3"-dithiol-2"-ylidene)-9,10-dihydroanthracene
SpectraBase Compound ID JF1aPo79tgq
InChI InChI=1S/C30H22OS5/c1-17-18(2)33-29(32-17)25-21-13-7-9-15-23(21)26(24-16-10-8-14-22(24)25)30-34-19(3)28(36-30)35-27(31)20-11-5-4-6-12-20/h4-16H,1-3H3
InChIKey UFMUSFBCNXNNSD-UHFFFAOYSA-N
Mol Weight 558.8 g/mol
Molecular Formula C30H22OS5
Exact Mass 558.027421 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DLF3BGbtryQ
Name 9-[4'-(Benzoylsulfanyl)-5'-methyl-1',3'-dithiol-2'-ylidene)-10-[4'',5''-dimethyl-1'',3''-dithiol-2''-ylidene)-9,10-dihydroanthracene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 558.027421197 u
Formula C30H22OS5
InChI InChI=1S/C30H22OS5/c1-17-18(2)33-29(32-17)25-21-13-7-9-15-23(21)26(24-16-10-8-14-22(24)25)30-34-19(3)28(36-30)35-27(31)20-11-5-4-6-12-20/h4-16H,1-3H3
InChIKey UFMUSFBCNXNNSD-UHFFFAOYSA-N
Molecular Weight 558.805 g/mol
SMILES C1(=C2C3=C(C=CC=C3)C(=C3SC(C)=C(S3)C)C3=C2C=CC=C3)SC(SC(=O)C2=CC=CC=C2)=C(S1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.813517