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N-(4-ethylphenyl)-2-[(3-isopentyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
SpectraBase Compound ID Gc7r9THv1RI
InChI InChI=1S/C25H27N3O2S2/c1-4-17-9-11-18(12-10-17)26-21(29)15-31-25-27-22-19-7-5-6-8-20(19)32-23(22)24(30)28(25)14-13-16(2)3/h5-12,16H,4,13-15H2,1-3H3,(H,26,29)
InChIKey IAVNRDVVMBNKKN-UHFFFAOYSA-N
Mol Weight 465.63 g/mol
Molecular Formula C25H27N3O2S2
Exact Mass 465.154469 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JQFjgyoDVYx
Name N-(4-ethylphenyl)-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 465.154469467 u
Formula C25H27N3O2S2
InChI InChI=1S/C25H27N3O2S2/c1-4-17-9-11-18(12-10-17)26-21(29)15-31-25-27-22-19-7-5-6-8-20(19)32-23(22)24(30)28(25)14-13-16(2)3/h5-12,16H,4,13-15H2,1-3H3,(H,26,29)
InChIKey IAVNRDVVMBNKKN-UHFFFAOYSA-N
Molecular Weight 465.630 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6625
Solvent DMSO-d6
Source Vendor ID: NMR/12328899