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3-(butylsulfanyl)-6-[4-(methylsulfanyl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SpectraBase Compound ID CQbWo7TYOqh
InChI InChI=1S/C21H22N4OS2/c1-3-4-13-28-21-23-20-18(24-25-21)16-7-5-6-8-17(16)22-19(26-20)14-9-11-15(27-2)12-10-14/h5-12,19,22H,3-4,13H2,1-2H3
InChIKey VWBGHDUCSGHLDF-UHFFFAOYSA-N
Mol Weight 410.55 g/mol
Molecular Formula C21H22N4OS2
Exact Mass 410.123504 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8y6LDokElWg
Name 3-(butylsulfanyl)-6-[4-(methylsulfanyl)phenyl]-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/C21H22N4OS2/c1-3-4-13-28-21-23-20-18(24-25-21)16-7-5-6-8-17(16)22-19(26-20)14-9-11-15(27-2)12-10-14/h5-12,19,22H,3-4,13H2,1-2H3
InChIKey VWBGHDUCSGHLDF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3212
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/8078728; UBI_ID: UBI-003213
Temperature 308 °C