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N-(7-methyl-4-oxo-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-benzothiophene-3-carboxamide
SpectraBase Compound ID AQR8Oxsh7RH
InChI InChI=1S/C20H17N3O2S3/c1-10-6-7-12-15(8-10)28-18-16(12)19(25)23(20(26)21-18)22-17(24)13-9-27-14-5-3-2-4-11(13)14/h2-5,9-10H,6-8H2,1H3,(H,21,26)(H,22,24)
InChIKey ORGZJJTYHBRPEZ-UHFFFAOYSA-N
Mol Weight 427.56 g/mol
Molecular Formula C20H17N3O2S3
Exact Mass 427.04829 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6KkPvIrBYzx
Name N-(7-methyl-4-oxo-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1-benzothiophene-3-carboxamide
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/C20H17N3O2S3/c1-10-6-7-12-15(8-10)28-18-16(12)19(25)23(20(26)21-18)22-17(24)13-9-27-14-5-3-2-4-11(13)14/h2-5,9-10H,6-8H2,1H3,(H,21,26)(H,22,24)
InChIKey ORGZJJTYHBRPEZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8264
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/1269739; Labnumber: COL7304; UZI_ID: UZI-008266
Temperature 306 °C