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2,5-dioxopyrrolidin-1-yl 5'-(7-(thiophen-2-yl)thieno[3,4-c]-[1,2,5]thiadiazole)-[2,2'-bithiophene]-5-carboxylate
SpectraBase Compound ID FTDdOCenla2
InChI InChI=1S/C21H11N3O4S5/c25-15-7-8-16(26)24(15)28-21(27)14-6-4-11(31-14)10-3-5-13(30-10)20-18-17(22-33-23-18)19(32-20)12-2-1-9-29-12/h1-6,9H,7-8H2
InChIKey YWQWRBNVGFMHAB-UHFFFAOYSA-N
Mol Weight 529.6 g/mol
Molecular Formula C21H11N3O4S5
Exact Mass 528.935312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LaPT8TFIRee
Name 2,5-dioxopyrrolidin-1-yl 5'-(7-(thiophen-2-yl)thieno[3,4-c]-[1,2,5]thiadiazole)-[2,2'-bithiophene]-5-carboxylate
Appearance Dark green powder
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Exact Mass 528.935311712 u
Formula C21H11N3O4S5
InChI InChI=1S/C21H11N3O4S5/c25-15-7-8-16(26)24(15)28-21(27)14-6-4-11(31-14)10-3-5-13(30-10)20-18-17(22-33-23-18)19(32-20)12-2-1-9-29-12/h1-6,9H,7-8H2
InChIKey YWQWRBNVGFMHAB-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jacsau.1c00061
Molecular Weight 529.636 g/mol
SMILES C=1(SC=CC1)C=1SC(=C2C1N=S=N2)C1=CC=C(S1)C=1SC(=CC1)C(=O)ON1C(CCC1=O)=O
SPLASH splash10-014u-0009200000-2d476f0682567b5fb568
Source of Spectrum JAC-1-SM7-3c3c (DOI: 10.1021/jacsau.1c00061)
Wiley ID 1911485