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3-chloro-N-(4-oxo-2-sulfanyl-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)benzamide
SpectraBase Compound ID 2nptroJdl0q
InChI InChI=1S/C16H12ClN3O2S2/c17-9-4-1-3-8(7-9)13(21)19-20-15(22)12-10-5-2-6-11(10)24-14(12)18-16(20)23/h1,3-4,7H,2,5-6H2,(H,18,23)(H,19,21)
InChIKey MFTIIUOIDZJLIV-UHFFFAOYSA-N
Mol Weight 377.86 g/mol
Molecular Formula C16H12ClN3O2S2
Exact Mass 377.005947 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KkG0kQT69gP
Name 3-chloro-N-(4-oxo-2-sulfanyl-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)benzamide
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/C16H12ClN3O2S2/c17-9-4-1-3-8(7-9)13(21)19-20-15(22)12-10-5-2-6-11(10)24-14(12)18-16(20)23/h1,3-4,7H,2,5-6H2,(H,18,23)(H,19,21)
InChIKey MFTIIUOIDZJLIV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7332
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/1270175; Labnumber: COL4857; UZI_ID: UZI-007334
Temperature 318 °C