6-(2-chloro-6-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl methyl sulfide

SpectraBase Compound ID	599AcIFY321
InChI	InChI=1S/C17H12ClFN4OS/c1-25-17-21-16-14(22-23-17)9-5-2-3-8-12(9)20-15(24-16)13-10(18)6-4-7-11(13)19/h2-8,15,20H,1H3
InChIKey	SLQWJXBZEOVCQM-UHFFFAOYSA-N Google Search
Mol Weight	374.82 g/mol
Molecular Formula	C17H12ClFN4OS
Exact Mass	374.040438 g/mol

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SpectraBase Spectrum ID	G6p3xoBusHg
Name	6-(2-chloro-6-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl methyl sulfide
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/C17H12ClFN4OS/c1-25-17-21-16-14(22-23-17)9-5-2-3-8-12(9)20-15(24-16)13-10(18)6-4-7-11(13)19/h2-8,15,20H,1H3
InChIKey	SLQWJXBZEOVCQM-UHFFFAOYSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_5159
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/8057185; Labnumber: BMW-95839s; UZI_ID: UZI-005161
Synonyms	6-(2-chloro-6-fluorophenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Temperature	313 °C