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

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2-(hexylsulfanyl)-3-(4-methoxyphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID KZSJCSV5SLG
InChI InChI=1S/C22H26N2O2S2/c1-3-4-5-6-14-27-22-23-20-19(17-8-7-9-18(17)28-20)21(25)24(22)15-10-12-16(26-2)13-11-15/h10-13H,3-9,14H2,1-2H3
InChIKey XGVOQNMOTQFJLI-UHFFFAOYSA-N
Mol Weight 414.58 g/mol
Molecular Formula C22H26N2O2S2
Exact Mass 414.14357 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1HjZuuNi0Qz
Name 2-(hexylsulfanyl)-3-(4-methoxyphenyl)-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/C22H26N2O2S2/c1-3-4-5-6-14-27-22-23-20-19(17-8-7-9-18(17)28-20)21(25)24(22)15-10-12-16(26-2)13-11-15/h10-13H,3-9,14H2,1-2H3
InChIKey XGVOQNMOTQFJLI-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_11919
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: 800788; Labnumber: AE95-474; VK_ID: VK-011924
Temperature 318 °C