6-(4,5-dibromo-2-furyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

SpectraBase Compound ID	F8QI96FcuoF
InChI	InChI=1S/C19H18Br2N4O2S/c1-2-3-6-9-28-19-23-18-15(24-25-19)11-7-4-5-8-13(11)22-17(27-18)14-10-12(20)16(21)26-14/h4-5,7-8,10,17,22H,2-3,6,9H2,1H3
InChIKey	VMWXCHYPVYGHSS-UHFFFAOYSA-N Google Search
Mol Weight	526.25 g/mol
Molecular Formula	C19H18Br2N4O2S
Exact Mass	523.951723 g/mol

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SpectraBase Spectrum ID	F3BzAmGF3Pb
Name	6-(4,5-dibromo-2-furyl)-3-(pentylsulfanyl)-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/C19H18Br2N4O2S/c1-2-3-6-9-28-19-23-18-15(24-25-19)11-7-4-5-8-13(11)22-17(27-18)14-10-12(20)16(21)26-14/h4-5,7-8,10,17,22H,2-3,6,9H2,1H3
InChIKey	VMWXCHYPVYGHSS-UHFFFAOYSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_16345
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/8104738; UBI_ID: UBI-016348
Synonyms	6-(4,5-dibromo-2-furyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl pentyl sulfide
Temperature	313 °C