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N-Benzyl-2-[4,5-bis(methylthio)-1,3-thiole-2-ylidene]-[1,3]-dithiolo[4,5-c]pyrrole
SpectraBase Compound ID 28mwH33bprB
InChI InChI=1S/C17H15NS6/c1-19-14-15(20-2)24-17(23-14)16-21-12-9-18(10-13(12)22-16)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKey GCUOTFPHCRZMFE-UHFFFAOYSA-N
Mol Weight 425.7 g/mol
Molecular Formula C17H15NS6
Exact Mass 424.952877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIRRgdSfL5K
Name N-Benzyl-2-[4,5-bis(methylthio)-1,3-thiole-2-ylidene]-[1,3]-dithiolo[4,5-c]pyrrole
Alternate Name(s) 2-[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-5-(phenylmethyl)-[1,3]dithiolo[4,5-c]pyrrole 5-benzyl-2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrole 2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(phenylmethyl)-[1,3]dithiolo[4,5-c]pyrrole
Comments Less than 3 mono-isotopic peaks
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Formula C17H15NS6
InChI InChI=1S/C17H15NS6/c1-19-14-15(20-2)24-17(23-14)16-21-12-9-18(10-13(12)22-16)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChIKey GCUOTFPHCRZMFE-UHFFFAOYSA-N
Molecular Weight 425.674 g/mol
SMILES C1(=C2Sc3c[n](cc3S2)Cc2ccccc2)SC(SC)=C(S1)SC
SPLASH splash10-004i-0000900000-65764e8745fc61a27e65
Source of Spectrum J-65-5802-24
Wiley ID 1533171