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thieno[2,3-c]pyridine-3-carboxylic acid, 2-[[(benzoylamino)carbonothioyl]amino]-4,5,6,7-tetrahydro-5,5,6-trimethyl-, ethyl ester
SpectraBase Compound ID 6N2KJTX01Ks
InChI InChI=1S/C21H25N3O3S2/c1-5-27-19(26)16-14-11-21(2,3)24(4)12-15(14)29-18(16)23-20(28)22-17(25)13-9-7-6-8-10-13/h6-10H,5,11-12H2,1-4H3,(H2,22,23,25,28)
InChIKey YSABVNGPRWRMIA-UHFFFAOYSA-N
Mol Weight 431.57 g/mol
Molecular Formula C21H25N3O3S2
Exact Mass 431.133734 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9OtG0BFhCh7
Name thieno[2,3-c]pyridine-3-carboxylic acid, 2-[[(benzoylamino)carbonothioyl]amino]-4,5,6,7-tetrahydro-5,5,6-trimethyl-, ethyl ester
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/C21H25N3O3S2/c1-5-27-19(26)16-14-11-21(2,3)24(4)12-15(14)29-18(16)23-20(28)22-17(25)13-9-7-6-8-10-13/h6-10H,5,11-12H2,1-4H3,(H2,22,23,25,28)
InChIKey YSABVNGPRWRMIA-UHFFFAOYSA-N
NMR Offset 16.6434
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_ASIOH_8516_3223
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: ZI/6052197; Labnumber: ART-1652; IOH_ID: IOH-010226
Temperature 313 °C