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N-cyclohexyl-2-[(3-isopentyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
SpectraBase Compound ID BfhARS996or
InChI InChI=1S/C23H29N3O2S2/c1-15(2)12-13-26-22(28)21-20(17-10-6-7-11-18(17)30-21)25-23(26)29-14-19(27)24-16-8-4-3-5-9-16/h6-7,10-11,15-16H,3-5,8-9,12-14H2,1-2H3,(H,24,27)
InChIKey MVZSYIAFOWCQLF-UHFFFAOYSA-N
Mol Weight 443.62 g/mol
Molecular Formula C23H29N3O2S2
Exact Mass 443.17012 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hrno7xgU6Fq
Name N-cyclohexyl-2-[(3-isopentyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.170119532 u
Formula C23H29N3O2S2
InChI InChI=1S/C23H29N3O2S2/c1-15(2)12-13-26-22(28)21-20(17-10-6-7-11-18(17)30-21)25-23(26)29-14-19(27)24-16-8-4-3-5-9-16/h6-7,10-11,15-16H,3-5,8-9,12-14H2,1-2H3,(H,24,27)
InChIKey MVZSYIAFOWCQLF-UHFFFAOYSA-N
Molecular Weight 443.624 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6637
Solvent DMSO-d6
Source Vendor ID: NMR/12328913