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3-allyl-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID CzG9Fx0ihMT
InChI InChI=1S/C21H20N2O3S2/c1-3-11-23-20(25)18-15-5-4-6-17(15)28-19(18)22-21(23)27-12-16(24)13-7-9-14(26-2)10-8-13/h3,7-10H,1,4-6,11-12H2,2H3
InChIKey QRBMJHMEYIAWHB-UHFFFAOYSA-N
Mol Weight 412.52 g/mol
Molecular Formula C21H20N2O3S2
Exact Mass 412.091535 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kz2Lia7HxX1
Name 3-allyl-2-{[2-(4-methoxyphenyl)-2-oxoethyl]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/C21H20N2O3S2/c1-3-11-23-20(25)18-15-5-4-6-17(15)28-19(18)22-21(23)27-12-16(24)13-7-9-14(26-2)10-8-13/h3,7-10H,1,4-6,11-12H2,2H3
InChIKey QRBMJHMEYIAWHB-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20704
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: D17409; Labnumber: Tolk-0090; SBI_ID: SBI-020708
Temperature 315 °C