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3-allyl-2-{[2-(5-chloro-2-thienyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

View entire compound with spectra: 1 NMR

3-allyl-2-{[2-(5-chloro-2-thienyl)-2-oxoethyl]sulfanyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID 3dxhCFV4hAI
InChI InChI=1S/C18H15ClN2O2S3/c1-2-8-21-17(23)15-10-4-3-5-12(10)26-16(15)20-18(21)24-9-11(22)13-6-7-14(19)25-13/h2,6-7H,1,3-5,8-9H2
InChIKey VQTLXOLNBIWCON-UHFFFAOYSA-N
Mol Weight 422.96 g/mol
Molecular Formula C18H15ClN2O2S3
Exact Mass 421.998419 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IjcUV7eXXmr
Name 3-allyl-2-{[2-(5-chloro-2-thienyl)-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/C18H15ClN2O2S3/c1-2-8-21-17(23)15-10-4-3-5-12(10)26-16(15)20-18(21)24-9-11(22)13-6-7-14(19)25-13/h2,6-7H,1,3-5,8-9H2
InChIKey VQTLXOLNBIWCON-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20705
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: D17410; Labnumber: Tolk-0092; SBI_ID: SBI-020709
Temperature 315 °C