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2-(heptylsulfanyl)-3-(4-methylphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

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2-(heptylsulfanyl)-3-(4-methylphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID HeTmQEqJrJQ
InChI InChI=1S/C23H28N2OS2/c1-3-4-5-6-7-15-27-23-24-21-20(18-9-8-10-19(18)28-21)22(26)25(23)17-13-11-16(2)12-14-17/h11-14H,3-10,15H2,1-2H3
InChIKey RNERHTNTUNDASR-UHFFFAOYSA-N
Mol Weight 412.61 g/mol
Molecular Formula C23H28N2OS2
Exact Mass 412.164306 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9Gi2uKDNfVi
Name 2-(heptylsulfanyl)-3-(4-methylphenyl)-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/C23H28N2OS2/c1-3-4-5-6-7-15-27-23-24-21-20(18-9-8-10-19(18)28-21)22(26)25(23)17-13-11-16(2)12-14-17/h11-14H,3-10,15H2,1-2H3
InChIKey RNERHTNTUNDASR-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_11933
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: 800752; Labnumber: AE95-424; VK_ID: VK-011938
Temperature 318 °C