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3-(4-chlorobenzyl)-2-sulfanyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID AcoB41FswiD
InChI InChI=1S/C16H13ClN2OS2/c17-10-6-4-9(5-7-10)8-19-15(20)13-11-2-1-3-12(11)22-14(13)18-16(19)21/h4-7H,1-3,8H2,(H,18,21)
InChIKey ATCMLEZLXPDJGU-UHFFFAOYSA-N
Mol Weight 348.87 g/mol
Molecular Formula C16H13ClN2OS2
Exact Mass 348.015783 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 36fbpGuHA0F
Name 3-(4-chlorobenzyl)-2-sulfanyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
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/C16H13ClN2OS2/c17-10-6-4-9(5-7-10)8-19-15(20)13-11-2-1-3-12(11)22-14(13)18-16(19)21/h4-7H,1-3,8H2,(H,18,21)
InChIKey ATCMLEZLXPDJGU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7313
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/1268807; Labnumber: COL4795; UZI_ID: UZI-007315
Temperature 318 °C