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6-(3,5-dibromo-4-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SpectraBase Compound ID 98JXArKhfFo
InChI InChI=1S/C19H16Br2N4O2S/c1-3-28-19-23-18-15(24-25-19)11-6-4-5-7-14(11)22-17(27-18)10-8-12(20)16(26-2)13(21)9-10/h4-9,17,22H,3H2,1-2H3
InChIKey LAMIGNNJQPTSEI-UHFFFAOYSA-N
Mol Weight 524.23 g/mol
Molecular Formula C19H16Br2N4O2S
Exact Mass 521.936073 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F2VWh3c3B8Q
Name 6-(3,5-dibromo-4-methoxyphenyl)-3-(ethylsulfanyl)-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/C19H16Br2N4O2S/c1-3-28-19-23-18-15(24-25-19)11-6-4-5-7-14(11)22-17(27-18)10-8-12(20)16(26-2)13(21)9-10/h4-9,17,22H,3H2,1-2H3
InChIKey LAMIGNNJQPTSEI-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16709
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/8171485; UBI_ID: UBI-016712
Synonyms 2,6-dibromo-4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl methyl ether
Temperature 313 °C