methyl 2-methyl-4-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl ether

SpectraBase Compound ID	CfbrgszvtxU
InChI	InChI=1S/C21H22N4O2S/c1-4-11-28-21-23-20-18(24-25-21)15-7-5-6-8-16(15)22-19(27-20)14-9-10-17(26-3)13(2)12-14/h5-10,12,19,22H,4,11H2,1-3H3
InChIKey	URLLMKCYMKUJRC-UHFFFAOYSA-N Google Search
Mol Weight	394.49 g/mol
Molecular Formula	C21H22N4O2S
Exact Mass	394.146347 g/mol

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SpectraBase Spectrum ID	AH7lAYDk89E
Name	methyl 2-methyl-4-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl ether
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/C21H22N4O2S/c1-4-11-28-21-23-20-18(24-25-21)15-7-5-6-8-16(15)22-19(27-20)14-9-10-17(26-3)13(2)12-14/h5-10,12,19,22H,4,11H2,1-3H3
InChIKey	URLLMKCYMKUJRC-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_1873
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/8032707; UBI_ID: UBI-001874
Synonyms	6-(4-methoxy-3-methylphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Temperature	308 °C