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2,5-[Bis((4,5-di(methoxycarbonyl)-1,3-dithiaol-2-ylidene)methyl]-N-methylpyrrole
SpectraBase Compound ID J9CczW9zx1B
InChI InChI=1S/C21H19NO8S4/c1-22-10(8-12-31-14(18(23)27-2)15(32-12)19(24)28-3)6-7-11(22)9-13-33-16(20(25)29-4)17(34-13)21(26)30-5/h6-9H,1-5H3
InChIKey ICYHBUITUGHGEO-UHFFFAOYSA-N
Mol Weight 541.6 g/mol
Molecular Formula C21H19NO8S4
Exact Mass 540.999351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62liLvBQcvB
Name 2,5-[Bis((4,5-di(methoxycarbonyl)-1,3-dithiaol-2-ylidene)methyl]-N-methylpyrrole
Alternate Name(s) Dimethyl 2-[(5-{[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]methyl}-1-methyl-1H-pyrrol-2-yl)methylene]-1,3-dithiole-4,5-dicarboxylate
CAS Registry Number 141198-30-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO8S4
InChI InChI=1S/C21H19NO8S4/c1-22-10(8-12-31-14(18(23)27-2)15(32-12)19(24)28-3)6-7-11(22)9-13-33-16(20(25)29-4)17(34-13)21(26)30-5/h6-9H,1-5H3
InChIKey ICYHBUITUGHGEO-UHFFFAOYSA-N
Molecular Weight 541.622 g/mol
SMILES C1(=C(SC(S1)=Cc1[n](c(C=C2SC(C(=O)OC)=C(S2)C(=O)OC)cc1)C)C(=O)OC)C(=O)OC
SPLASH splash10-000x-0002490000-1abefbcdb8a093b9c62a
Source of Spectrum C-114-5039-10
Wiley ID 1404717