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2-(2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)-N-(3-methoxypropyl)acetamide
SpectraBase Compound ID JE0xQVM5Bif
InChI InChI=1S/C22H25N3O4S/c1-29-13-7-12-23-18(26)14-24-21-19(16-10-5-6-11-17(16)30-21)20(27)25(22(24)28)15-8-3-2-4-9-15/h2-4,8-9H,5-7,10-14H2,1H3,(H,23,26)
InChIKey IMVFCEOKLGXYNU-UHFFFAOYSA-N
Mol Weight 427.52 g/mol
Molecular Formula C22H25N3O4S
Exact Mass 427.156577 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FMNlVOmzhTN
Name 2-(2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)-N-(3-methoxypropyl)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 427.156577467 u
Formula C22H25N3O4S
InChI InChI=1S/C22H25N3O4S/c1-29-13-7-12-23-18(26)14-24-21-19(16-10-5-6-11-17(16)30-21)20(27)25(22(24)28)15-8-3-2-4-9-15/h2-4,8-9H,5-7,10-14H2,1H3,(H,23,26)
InChIKey IMVFCEOKLGXYNU-UHFFFAOYSA-N
Molecular Weight 427.519 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8032
Solvent DMSO-d6
Source Vendor ID: NMR/13219003