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N-(4-ethylphenyl)-2-{[3-(3-isopropoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
SpectraBase Compound ID 8coNwOiZpfe
InChI InChI=1S/C26H29N3O3S2/c1-4-18-10-12-19(13-11-18)27-22(30)16-33-26-28-23-20-8-5-6-9-21(20)34-24(23)25(31)29(26)14-7-15-32-17(2)3/h5-6,8-13,17H,4,7,14-16H2,1-3H3,(H,27,30)
InChIKey AJYIULBJYWYAIQ-UHFFFAOYSA-N
Mol Weight 495.66 g/mol
Molecular Formula C26H29N3O3S2
Exact Mass 495.165034 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 60tbcQDgfWg
Name N-(4-ethylphenyl)-2-{[3-(3-isopropoxypropyl)-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 495.165034151 u
Formula C26H29N3O3S2
InChI InChI=1S/C26H29N3O3S2/c1-4-18-10-12-19(13-11-18)27-22(30)16-33-26-28-23-20-8-5-6-9-21(20)34-24(23)25(31)29(26)14-7-15-32-17(2)3/h5-6,8-13,17H,4,7,14-16H2,1-3H3,(H,27,30)
InChIKey AJYIULBJYWYAIQ-UHFFFAOYSA-N
Molecular Weight 495.656 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6236
Solvent DMSO-d6
Source Vendor ID: NMR/12328324