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3-allyl-2-{[2-(2,5-dichloro-3-thienyl)-2-oxoethyl]sulfanyl}-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 6QgJxdHfnog
InChI InChI=1S/C17H14Cl2N2O2S3/c1-4-5-21-16(23)13-8(2)9(3)25-15(13)20-17(21)24-7-11(22)10-6-12(18)26-14(10)19/h4,6H,1,5,7H2,2-3H3
InChIKey JKBIFFZXIWURDV-UHFFFAOYSA-N
Mol Weight 445.4 g/mol
Molecular Formula C17H14Cl2N2O2S3
Exact Mass 443.959447 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EtjrDRfJNz0
Name 3-allyl-2-{[2-(2,5-dichloro-3-thienyl)-2-oxoethyl]sulfanyl}-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-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/C17H14Cl2N2O2S3/c1-4-5-21-16(23)13-8(2)9(3)25-15(13)20-17(21)24-7-11(22)10-6-12(18)26-14(10)19/h4,6H,1,5,7H2,2-3H3
InChIKey JKBIFFZXIWURDV-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20712
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: D17419; Labnumber: Tolk-0136; SBI_ID: SBI-020716
Temperature 315 °C