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

SpectraBase Compound ID	BwdluuA8mf5
InChI	InChI=1S/C19H19N5OS/c1-2-3-11-26-19-22-18-16(23-24-19)14-8-4-5-9-15(14)21-17(25-18)13-7-6-10-20-12-13/h4-10,12,17,21H,2-3,11H2,1H3
InChIKey	YURMNDKCWVZRCI-UHFFFAOYSA-N Google Search
Mol Weight	365.46 g/mol
Molecular Formula	C19H19N5OS
Exact Mass	365.131031 g/mol

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SpectraBase Spectrum ID	IJQCmKTMLb6
Name	3-(butylsulfanyl)-6-(3-pyridinyl)-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/C19H19N5OS/c1-2-3-11-26-19-22-18-16(23-24-19)14-8-4-5-9-15(14)21-17(25-18)13-7-6-10-20-12-13/h4-10,12,17,21H,2-3,11H2,1H3
InChIKey	YURMNDKCWVZRCI-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_3264
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/8083475; UBI_ID: UBI-003265
Synonyms	butyl 6-(3-pyridinyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide
Temperature	308 °C