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N-cyclopentyl-2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
SpectraBase Compound ID A4MKn7b4lTq
InChI InChI=1S/C22H27N3O3S2/c1-2-28-13-7-12-25-21(27)20-19(16-10-5-6-11-17(16)30-20)24-22(25)29-14-18(26)23-15-8-3-4-9-15/h5-6,10-11,15H,2-4,7-9,12-14H2,1H3,(H,23,26)
InChIKey KPBRXRFXOXGLPR-UHFFFAOYSA-N
Mol Weight 445.6 g/mol
Molecular Formula C22H27N3O3S2
Exact Mass 445.149384 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5krVGSUqKSV
Name N-cyclopentyl-2-{[3-(3-ethoxypropyl)-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 445.149384086 u
Formula C22H27N3O3S2
InChI InChI=1S/C22H27N3O3S2/c1-2-28-13-7-12-25-21(27)20-19(16-10-5-6-11-17(16)30-20)24-22(25)29-14-18(26)23-15-8-3-4-9-15/h5-6,10-11,15H,2-4,7-9,12-14H2,1H3,(H,23,26)
InChIKey KPBRXRFXOXGLPR-UHFFFAOYSA-N
Molecular Weight 445.596 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6247
Solvent DMSO-d6
Source Vendor ID: NMR/12328341