Acetonitrile, [5-(4-methyl-1-piperazinyl)-9H-dithieno[3,4-b:3',4'-e]azepin-9-ylidene]-, 2-butendioic acid, (Z), salt

SpectraBase Compound ID	BJOobI2VBqt
InChI	InChI=1S/C17H16N4S2.C4H4O4/c1-20-4-6-21(7-5-20)17-15-10-22-8-13(15)12(2-3-18)14-9-23-11-16(14)19-17;5-3(6)1-2-4(7)8/h2,8-11H,4-7H2,1H3;1-2H,(H,5,6)(H,7,8)/b12-2-;
InChIKey	WBQIWNGJJLOLOE-QPBZENRTSA-N Google Search
Mol Weight	456.54 g/mol
Molecular Formula	C21H20N4O4S2
Exact Mass	456.092597 g/mol

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SpectraBase Spectrum ID	Br1DBGaVT1m
Name	Acetonitrile, [5-(4-methyl-1-piperazinyl)-9H-dithieno[3,4-b:3',4'-e]azepin-9-ylidene]-, 2-butendioic acid, (Z), salt
CAS Registry Number	82650-82-6
Copyright	Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C21H20N4O4S2
InChI	InChI=1S/C17H16N4S2.C4H4O4/c1-20-4-6-21(7-5-20)17-15-10-22-8-13(15)12(2-3-18)14-9-23-11-16(14)19-17;5-3(6)1-2-4(7)8/h2,8-11H,4-7H2,1H3;1-2H,(H,5,6)(H,7,8)/b12-2-;
InChIKey	WBQIWNGJJLOLOE-QPBZENRTSA-N
Instrument Name	Bruker IFS 85
Technique	KBr-Pellet