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2-[(3-butyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide
SpectraBase Compound ID 5bi5gCuPatM
InChI InChI=1S/C21H25N3O2S2/c1-2-3-12-24-20(26)19-18(15-10-6-7-11-16(15)28-19)23-21(24)27-13-17(25)22-14-8-4-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,22,25)
InChIKey SHZJVKAPENYHFM-UHFFFAOYSA-N
Mol Weight 415.57 g/mol
Molecular Formula C21H25N3O2S2
Exact Mass 415.138819 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EAtqgZ0hUfj
Name 2-[(3-butyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.138819403 u
Formula C21H25N3O2S2
InChI InChI=1S/C21H25N3O2S2/c1-2-3-12-24-20(26)19-18(15-10-6-7-11-16(15)28-19)23-21(24)27-13-17(25)22-14-8-4-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,22,25)
InChIKey SHZJVKAPENYHFM-UHFFFAOYSA-N
Molecular Weight 415.570 g/mol
NMR Offset 17.9987
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9845
Solvent DMSO-d6
Source Vendor ID: NMR/13229917