11H-Dibenz[b,e]azepine, piperazine derivative

SpectraBase Compound ID	HKL5njaLhz1
InChI	InChI=1S/C21H21N3O2.H2O4S/c1-23-10-12-24(13-11-23)20(25)14-18-15-6-2-3-8-17(15)21(26)22-19-9-5-4-7-16(18)19;1-5(2,3)4/h2-9,14H,10-13H2,1H3,(H,22,26);(H2,1,2,3,4)/b18-14+;
InChIKey	HKLBRDYUBSYUFC-LSJACRKWSA-N Google Search
Mol Weight	445.49 g/mol
Molecular Formula	C21H23N3O6S
Exact Mass	445.130757 g/mol

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SpectraBase Spectrum ID	8z3XhTLJp1x
Name	11H-Dibenz[b,e]azepine, piperazine derivative
CAS Registry Number	84629-60-7
Copyright	Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C21H23N3O6S
InChI	InChI=1S/C21H21N3O2.H2O4S/c1-23-10-12-24(13-11-23)20(25)14-18-15-6-2-3-8-17(15)21(26)22-19-9-5-4-7-16(18)19;1-5(2,3)4/h2-9,14H,10-13H2,1H3,(H,22,26);(H2,1,2,3,4)/b18-14+;
InChIKey	HKLBRDYUBSYUFC-LSJACRKWSA-N
Instrument Name	Bruker IFS 85
Synonyms	Piperazine, 1-[(5,6-dihydro-6-oxo-11H-dibenz[b,e]azepin-11-ylidene)acetyl]-4-methyl-, (Z)-, sulfate, salt (2:1)
Technique	KBr-Pellet