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2-[(3-cyclohexyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-isopropylphenyl)acetamide
SpectraBase Compound ID 59Mbuohve00
InChI InChI=1S/C27H29N3O2S2/c1-17(2)18-12-14-19(15-13-18)28-23(31)16-33-27-29-24-21-10-6-7-11-22(21)34-25(24)26(32)30(27)20-8-4-3-5-9-20/h6-7,10-15,17,20H,3-5,8-9,16H2,1-2H3,(H,28,31)
InChIKey PVTGXLWOFARTDC-UHFFFAOYSA-N
Mol Weight 491.67 g/mol
Molecular Formula C27H29N3O2S2
Exact Mass 491.17012 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3UJN5JspJH0
Name 2-[(3-cyclohexyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(4-isopropylphenyl)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 491.170119532 u
Formula C27H29N3O2S2
InChI InChI=1S/C27H29N3O2S2/c1-17(2)18-12-14-19(15-13-18)28-23(31)16-33-27-29-24-21-10-6-7-11-22(21)34-25(24)26(32)30(27)20-8-4-3-5-9-20/h6-7,10-15,17,20H,3-5,8-9,16H2,1-2H3,(H,28,31)
InChIKey PVTGXLWOFARTDC-UHFFFAOYSA-N
Molecular Weight 491.668 g/mol
NMR Offset 17.9986
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9839
Solvent DMSO-d6
Source Vendor ID: NMR/13229911