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N-(3,5-dimethylphenyl)-2-[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
SpectraBase Compound ID DfJG1RnGOul
InChI InChI=1S/C22H25N3O2S2/c1-4-25-21(27)19-16-7-5-6-8-17(16)29-20(19)24-22(25)28-12-18(26)23-15-10-13(2)9-14(3)11-15/h9-11H,4-8,12H2,1-3H3,(H,23,26)
InChIKey XQWKQXBZMWMXBY-UHFFFAOYSA-N
Mol Weight 427.58 g/mol
Molecular Formula C22H25N3O2S2
Exact Mass 427.138819 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3PAFgkBzozF
Name N-(3,5-dimethylphenyl)-2-[(3-ethyl-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/C22H25N3O2S2/c1-4-25-21(27)19-16-7-5-6-8-17(16)29-20(19)24-22(25)28-12-18(26)23-15-10-13(2)9-14(3)11-15/h9-11H,4-8,12H2,1-3H3,(H,23,26)
InChIKey XQWKQXBZMWMXBY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12392
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: D74430; Labnumber: GRESKO-0837; SBI_ID: SBI-012395
Temperature 318 °C