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2-bromo-6-ethoxy-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
SpectraBase Compound ID 61VYEH070S5
InChI InChI=1S/C19H17BrN4O3S/c1-3-26-14-9-10(8-12(20)16(14)25)17-21-13-7-5-4-6-11(13)15-18(27-17)22-19(28-2)24-23-15/h4-9,17,21,25H,3H2,1-2H3
InChIKey LGCBJOUXQIDDFT-UHFFFAOYSA-N
Mol Weight 461.33 g/mol
Molecular Formula C19H17BrN4O3S
Exact Mass 460.020475 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GPREhhtJCrb
Name 2-bromo-6-ethoxy-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
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/C19H17BrN4O3S/c1-3-26-14-9-10(8-12(20)16(14)25)17-21-13-7-5-4-6-11(13)15-18(27-17)22-19(28-2)24-23-15/h4-9,17,21,25H,3H2,1-2H3
InChIKey LGCBJOUXQIDDFT-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_4986
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/7119366; Labnumber: BMW-0071415; UZI_ID: UZI-004988
Temperature 308 °C