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

SpectraBase Compound ID	6bRiLZUzkL6
InChI	InChI=1S/C21H15BrN4O2S/c1-29-21-24-20-18(25-26-21)14-7-2-3-8-15(14)23-19(28-20)17-10-9-16(27-17)12-5-4-6-13(22)11-12/h2-11,19,23H,1H3
InChIKey	YCMFAVFFYKVTGQ-UHFFFAOYSA-N Google Search
Mol Weight	467.34 g/mol
Molecular Formula	C21H15BrN4O2S
Exact Mass	466.00991 g/mol

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SpectraBase Spectrum ID	Ebr5hz4Q7tU
Name	6-[5-(3-bromophenyl)-2-furyl]-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/C21H15BrN4O2S/c1-29-21-24-20-18(25-26-21)14-7-2-3-8-15(14)23-19(28-20)17-10-9-16(27-17)12-5-4-6-13(22)11-12/h2-11,19,23H,1H3
InChIKey	YCMFAVFFYKVTGQ-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_7860
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/9020246; UBI_ID: UBI-007863
Synonyms	6-[5-(3-bromophenyl)-2-furyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Temperature	308 °C