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

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6-[4-(allyloxy)-3-bromo-5-ethoxyphenyl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SpectraBase Compound ID 3pkHcYwsxI9
InChI InChI=1S/C23H23BrN4O3S/c1-4-11-30-20-16(24)12-14(13-18(20)29-5-2)21-25-17-10-8-7-9-15(17)19-22(31-21)26-23(28-27-19)32-6-3/h4,7-10,12-13,21,25H,1,5-6,11H2,2-3H3
InChIKey HKLBIVLQOOIFGG-UHFFFAOYSA-N
Mol Weight 515.43 g/mol
Molecular Formula C23H23BrN4O3S
Exact Mass 514.067425 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J3lEfONy7Ev
Name 6-[4-(allyloxy)-3-bromo-5-ethoxyphenyl]-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/C23H23BrN4O3S/c1-4-11-30-20-16(24)12-14(13-18(20)29-5-2)21-25-17-10-8-7-9-15(17)19-22(31-21)26-23(28-27-19)32-6-3/h4,7-10,12-13,21,25H,1,5-6,11H2,2-3H3
InChIKey HKLBIVLQOOIFGG-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6435
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/8184108; UBI_ID: UBI-006437
Temperature 308 °C