3-(butylsulfanyl)-6-(2-chloro-6-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

SpectraBase Compound ID	6c218LpvfoK
InChI	InChI=1S/C20H18ClFN4OS/c1-2-3-11-28-20-24-19-17(25-26-20)12-7-4-5-10-15(12)23-18(27-19)16-13(21)8-6-9-14(16)22/h4-10,18,23H,2-3,11H2,1H3
InChIKey	YTCLPBAOVWGKSK-UHFFFAOYSA-N Google Search
Mol Weight	416.9 g/mol
Molecular Formula	C20H18ClFN4OS
Exact Mass	416.087388 g/mol

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SpectraBase Spectrum ID	2ina3UusRlQ
Name	3-(butylsulfanyl)-6-(2-chloro-6-fluorophenyl)-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/C20H18ClFN4OS/c1-2-3-11-28-20-24-19-17(25-26-20)12-7-4-5-10-15(12)23-18(27-19)16-13(21)8-6-9-14(16)22/h4-10,18,23H,2-3,11H2,1H3
InChIKey	YTCLPBAOVWGKSK-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_3231
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/8080383; UBI_ID: UBI-003232
Synonyms	butyl 6-(2-chloro-6-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide
Temperature	308 °C