6-(3,5-dibromo-4-methoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

SpectraBase Compound ID	5NDCK3kepvE
InChI	InChI=1S/C18H14Br2N4O2S/c1-25-15-11(19)7-9(8-12(15)20)16-21-13-6-4-3-5-10(13)14-17(26-16)22-18(27-2)24-23-14/h3-8,16,21H,1-2H3
InChIKey	XBQUUJYVBDPGDZ-UHFFFAOYSA-N Google Search
Mol Weight	510.2 g/mol
Molecular Formula	C18H14Br2N4O2S
Exact Mass	507.920423 g/mol

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SpectraBase Spectrum ID	JvaKWFPUF4P
Name	6-(3,5-dibromo-4-methoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C18H14Br2N4O2S/c1-25-15-11(19)7-9(8-12(15)20)16-21-13-6-4-3-5-10(13)14-17(26-16)22-18(27-2)24-23-14/h3-8,16,21H,1-2H3
InChIKey	XBQUUJYVBDPGDZ-UHFFFAOYSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_7058
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: UZI/8190106; UBI_ID: UBI-007061
Synonyms	2,6-dibromo-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl methyl ether
Temperature	308 °C