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6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

View entire compound with spectra: 1 NMR

6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SpectraBase Compound ID 3ATty767MJG
InChI InChI=1S/C21H21BrN4O3S/c1-4-28-18-14(22)10-12(11-16(18)27-3)19-23-15-9-7-6-8-13(15)17-20(29-19)24-21(26-25-17)30-5-2/h6-11,19,23H,4-5H2,1-3H3
InChIKey ZAHSKALDBYQEDK-UHFFFAOYSA-N
Mol Weight 489.39 g/mol
Molecular Formula C21H21BrN4O3S
Exact Mass 488.051775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hn69hgbGUWG
Name 6-(3-bromo-4-ethoxy-5-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/C21H21BrN4O3S/c1-4-28-18-14(22)10-12(11-16(18)27-3)19-23-15-9-7-6-8-13(15)17-20(29-19)24-21(26-25-17)30-5-2/h6-11,19,23H,4-5H2,1-3H3
InChIKey ZAHSKALDBYQEDK-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8131
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/9024560; UBI_ID: UBI-008134
Temperature 308 °C