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Bis(2,5-dimethyl-N-phenylpyrrolo[3,4-d]tetrathiafulvalene
SpectraBase Compound ID DPBvrTpayYm
InChI InChI=1S/C26H22N2S4/c1-15-21-22(16(2)27(15)19-11-7-5-8-12-19)30-25(29-21)26-31-23-17(3)28(18(4)24(23)32-26)20-13-9-6-10-14-20/h5-14H,1-4H3
InChIKey OEMPDUHGCVBCGV-UHFFFAOYSA-N
Mol Weight 490.7 g/mol
Molecular Formula C26H22N2S4
Exact Mass 490.066583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HkIPgMicflj
Name Bis(2,5-dimethyl-N-phenylpyrrolo[3,4-d]tetrathiafulvalene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22N2S4
InChI InChI=1S/C26H22N2S4/c1-15-21-22(16(2)27(15)19-11-7-5-8-12-19)30-25(29-21)26-31-23-17(3)28(18(4)24(23)32-26)20-13-9-6-10-14-20/h5-14H,1-4H3
InChIKey OEMPDUHGCVBCGV-UHFFFAOYSA-N
Molecular Weight 490.716 g/mol
SMILES c12c(c(C)[n](c2C)-c2ccccc2)SC(=C2Sc3c(C)[n](c(c3S2)C)-c2ccccc2)S1
SPLASH splash10-0006-0090600000-2fe092eecea8c48051b9
Source of Spectrum J-61-8122-7
Synonyms 2-{4,6-dimethyl-5-phenyl-2H,5H-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene}-4,6-dimethyl-5-phenyl-2H,5H-[1,3]dithiolo[4,5-c]pyrrole
Wiley ID 1397215