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

SpectraBase Compound ID	EHq14sYVk5e
InChI	InChI=1S/C18H14ClN5O3S/c1-2-28-18-21-17-15(22-23-18)11-5-3-4-6-13(11)20-16(27-17)10-7-8-12(19)14(9-10)24(25)26/h3-9,16,20H,2H2,1H3
InChIKey	CVPBXSWNKJGGTK-UHFFFAOYSA-N Google Search
Mol Weight	415.86 g/mol
Molecular Formula	C18H14ClN5O3S
Exact Mass	415.050588 g/mol

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SpectraBase Spectrum ID	Kh83ET5yYhP
Name	6-(4-chloro-3-nitrophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl ethyl 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/C18H14ClN5O3S/c1-2-28-18-21-17-15(22-23-18)11-5-3-4-6-13(11)20-16(27-17)10-7-8-12(19)14(9-10)24(25)26/h3-9,16,20H,2H2,1H3
InChIKey	CVPBXSWNKJGGTK-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_2232
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/8045119; UBI_ID: UBI-002233
Synonyms	6-(4-chloro-3-nitrophenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Temperature	308 °C