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2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID 36bTxHBiE8v
InChI InChI=1S/C23H18N4OS2/c28-22-20-15-9-6-12-18(15)30-21(20)26-23(27(22)14-7-2-1-3-8-14)29-13-19-24-16-10-4-5-11-17(16)25-19/h1-5,7-8,10-11H,6,9,12-13H2,(H,24,25)
InChIKey MBAYPCAOGXLJOB-UHFFFAOYSA-N
Mol Weight 430.54 g/mol
Molecular Formula C23H18N4OS2
Exact Mass 430.092204 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JDwVB4IQ6tT
Name 4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 2-[(1H-benzimidazol-2-ylmethyl)thio]-3,5,6,7-tetrahydro-3-phenyl-
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.092203563 u
Formula C23H18N4OS2
InChI InChI=1S/C23H18N4OS2/c28-22-20-15-9-6-12-18(15)30-21(20)26-23(27(22)14-7-2-1-3-8-14)29-13-19-24-16-10-4-5-11-17(16)25-19/h1-5,7-8,10-11H,6,9,12-13H2,(H,24,25)
InChIKey MBAYPCAOGXLJOB-UHFFFAOYSA-N
Molecular Weight 430.544 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16708
Solvent DMSO-d6
Source Vendor ID: NMR/11211582; Lab Info: LP; Lab Number: LP-2110049