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

SpectraBase Compound ID	KF8zrBOE1xF
InChI	InChI=1S/C17H12ClN5O3S/c1-27-17-20-16-14(21-22-17)10-4-2-3-5-12(10)19-15(26-16)9-6-7-11(18)13(8-9)23(24)25/h2-8,15,19H,1H3
InChIKey	UUIJPMSNLWYWST-UHFFFAOYSA-N Google Search
Mol Weight	401.83 g/mol
Molecular Formula	C17H12ClN5O3S
Exact Mass	401.034938 g/mol

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SpectraBase Spectrum ID	8eFI5DDZNHC
Name	6-(4-chloro-3-nitrophenyl)-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/C17H12ClN5O3S/c1-27-17-20-16-14(21-22-17)10-4-2-3-5-12(10)19-15(26-16)9-6-7-11(18)13(8-9)23(24)25/h2-8,15,19H,1H3
InChIKey	UUIJPMSNLWYWST-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_5155
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/8040471; Labnumber: BMW-95386s; UZI_ID: UZI-005157
Synonyms	6-(4-chloro-3-nitrophenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Temperature	318 °C