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6-[4-(methylsulfanyl)phenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

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6-[4-(methylsulfanyl)phenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SpectraBase Compound ID 1EETa15Dofc
InChI InChI=1S/C22H24N4OS2/c1-3-4-7-14-29-22-24-21-19(25-26-22)17-8-5-6-9-18(17)23-20(27-21)15-10-12-16(28-2)13-11-15/h5-6,8-13,20,23H,3-4,7,14H2,1-2H3
InChIKey FXJBNIXHHNZXGU-UHFFFAOYSA-N
Mol Weight 424.58 g/mol
Molecular Formula C22H24N4OS2
Exact Mass 424.139154 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8qFH2Vrkgfb
Name 6-[4-(methylsulfanyl)phenyl]-3-(pentylsulfanyl)-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/C22H24N4OS2/c1-3-4-7-14-29-22-24-21-19(25-26-22)17-8-5-6-9-18(17)23-20(27-21)15-10-12-16(28-2)13-11-15/h5-6,8-13,20,23H,3-4,7,14H2,1-2H3
InChIKey FXJBNIXHHNZXGU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4404
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/8119562; UBI_ID: UBI-004405
Temperature 308 °C