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6-(2,3-dimethoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SpectraBase Compound ID BTJsfGL4bqs
InChI InChI=1S/C21H22N4O3S/c1-4-12-29-21-23-20-17(24-25-21)13-8-5-6-10-15(13)22-19(28-20)14-9-7-11-16(26-2)18(14)27-3/h5-11,19,22H,4,12H2,1-3H3
InChIKey PXAOZEKWXXKMIM-UHFFFAOYSA-N
Mol Weight 410.49 g/mol
Molecular Formula C21H22N4O3S
Exact Mass 410.141262 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4pGQ9jDcdQR
Name 6-(2,3-dimethoxyphenyl)-3-(propylsulfanyl)-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/C21H22N4O3S/c1-4-12-29-21-23-20-17(24-25-21)13-8-5-6-10-15(13)22-19(28-20)14-9-7-11-16(26-2)18(14)27-3/h5-11,19,22H,4,12H2,1-3H3
InChIKey PXAOZEKWXXKMIM-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5195
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/8086456; Labnumber: BMW-99181s; UZI_ID: UZI-005197
Temperature 313 °C