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N-(3-chloro-4-methoxyphenyl)-2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

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N-(3-chloro-4-methoxyphenyl)-2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
SpectraBase Compound ID 9bzTGw8mhEO
InChI InChI=1S/C20H20ClN3O3S2/c1-24-19(26)17-12-5-3-4-6-15(12)29-18(17)23-20(24)28-10-16(25)22-11-7-8-14(27-2)13(21)9-11/h7-9H,3-6,10H2,1-2H3,(H,22,25)
InChIKey VTJMMHGKVHAUIE-UHFFFAOYSA-N
Mol Weight 449.97 g/mol
Molecular Formula C20H20ClN3O3S2
Exact Mass 449.063462 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JHXSVetovlV
Name N-(3-chloro-4-methoxyphenyl)-2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
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/C20H20ClN3O3S2/c1-24-19(26)17-12-5-3-4-6-15(12)29-18(17)23-20(24)28-10-16(25)22-11-7-8-14(27-2)13(21)9-11/h7-9H,3-6,10H2,1-2H3,(H,22,25)
InChIKey VTJMMHGKVHAUIE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12448
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: D74593; Labnumber: GRESKO-2902; SBI_ID: SBI-012451
Temperature 308 °C