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3-pyridinemethanamine, N-[4-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]-2-(2-thienyl)-5-oxazolyl]-
SpectraBase Compound ID ACvvc4mCszD
InChI InChI=1S/C21H17N3O5S2/c25-31(26,15-5-6-16-17(11-15)28-9-8-27-16)21-20(23-13-14-3-1-7-22-12-14)29-19(24-21)18-4-2-10-30-18/h1-7,10-12,23H,8-9,13H2
InChIKey NWJWQODTGLZFGW-UHFFFAOYSA-N
Mol Weight 455.5 g/mol
Molecular Formula C21H17N3O5S2
Exact Mass 455.060963 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EZqRA08MIrR
Name 3-pyridinemethanamine, N-[4-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]-2-(2-thienyl)-5-oxazolyl]-
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/C21H17N3O5S2/c25-31(26,15-5-6-16-17(11-15)28-9-8-27-16)21-20(23-13-14-3-1-7-22-12-14)29-19(24-21)18-4-2-10-30-18/h1-7,10-12,23H,8-9,13H2
InChIKey NWJWQODTGLZFGW-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_7745
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: F30969; Labnumber: TVIN-01762