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3-(methylsulfanyl)-6-(2,3,4-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SpectraBase Compound ID 7zRsJfglPMF
InChI InChI=1S/C20H20N4O4S/c1-25-14-10-9-12(16(26-2)17(14)27-3)18-21-13-8-6-5-7-11(13)15-19(28-18)22-20(29-4)24-23-15/h5-10,18,21H,1-4H3
InChIKey ZKCHLWAFYYSTMI-UHFFFAOYSA-N
Mol Weight 412.46 g/mol
Molecular Formula C20H20N4O4S
Exact Mass 412.120526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2cCIoPQFHzk
Name 3-(methylsulfanyl)-6-(2,3,4-trimethoxyphenyl)-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/C20H20N4O4S/c1-25-14-10-9-12(16(26-2)17(14)27-3)18-21-13-8-6-5-7-11(13)15-19(28-18)22-20(29-4)24-23-15/h5-10,18,21H,1-4H3
InChIKey ZKCHLWAFYYSTMI-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_4979
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/7119581; Labnumber: BMW-0071118; UZI_ID: UZI-004981
Temperature 308 °C