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2,6-dibromo-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
SpectraBase Compound ID GFUWCs7svwa
InChI InChI=1S/C21H20Br2N4O2S/c1-2-3-6-9-30-21-25-20-17(26-27-21)13-7-4-5-8-16(13)24-19(29-20)12-10-14(22)18(28)15(23)11-12/h4-5,7-8,10-11,19,24,28H,2-3,6,9H2,1H3
InChIKey YPGXSBHVYHHPMW-UHFFFAOYSA-N
Mol Weight 552.29 g/mol
Molecular Formula C21H20Br2N4O2S
Exact Mass 549.967373 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 48Ljhf4ENBa
Name 2,6-dibromo-4-[3-(pentylsulfanyl)-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/C21H20Br2N4O2S/c1-2-3-6-9-30-21-25-20-17(26-27-21)13-7-4-5-8-16(13)24-19(29-20)12-10-14(22)18(28)15(23)11-12/h4-5,7-8,10-11,19,24,28H,2-3,6,9H2,1H3
InChIKey YPGXSBHVYHHPMW-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5071
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/8100176; Labnumber: BMW-117585s; UZI_ID: UZI-005073
Temperature 308 °C