(12aS)-2-{[(E)-(3-bromophenyl)methylidene]amino}-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[2',1':6,1]pyrido[3,4-b]indole-1,4-dione

SpectraBase Compound ID	pHQPJstOAO
InChI	InChI=1S/C23H21BrN4O2/c1-23(2)21-17(16-8-3-4-9-18(16)26-21)11-19-22(30)27(13-20(29)28(19)23)25-12-14-6-5-7-15(24)10-14/h3-10,12,19,26H,11,13H2,1-2H3/b25-12+
InChIKey	SAHJHYWZQWBHEE-BRJLIKDPSA-N Google Search
Mol Weight	465.35 g/mol
Molecular Formula	C23H21BrN4O2
Exact Mass	464.084789 g/mol

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SpectraBase Spectrum ID	DaWceH7uodx
Name	(12aS)-2-{[(E)-(3-bromophenyl)methylidene]amino}-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[2',1':6,1]pyrido[3,4-b]indole-1,4-dione
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C23H21BrN4O2/c1-23(2)21-17(16-8-3-4-9-18(16)26-21)11-19-22(30)27(13-20(29)28(19)23)25-12-14-6-5-7-15(24)10-14/h3-10,12,19,26H,11,13H2,1-2H3/b25-12+
InChIKey	SAHJHYWZQWBHEE-BRJLIKDPSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_23515
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: D41886; Labnumber: EXP16Exi001156; SBI_ID: SBI-023519
Synonyms	(12aS)-2-{[(3-bromophenyl)methylidene]amino}-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[2',1':6,1]pyrido[3,4-b]indole-1,4-dione
Temperature	306 °C