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4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 2-[[(2-fluorophenyl)methyl]thio]-3,5,6,7-tetrahydro-3-phenyl-
SpectraBase Compound ID 9C6ZguoX4eb
InChI InChI=1S/C22H17FN2OS2/c23-17-11-5-4-7-14(17)13-27-22-24-20-19(16-10-6-12-18(16)28-20)21(26)25(22)15-8-2-1-3-9-15/h1-5,7-9,11H,6,10,12-13H2
InChIKey IKPVJVPIVRXZOF-UHFFFAOYSA-N
Mol Weight 408.51 g/mol
Molecular Formula C22H17FN2OS2
Exact Mass 408.076634 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID R4DtkLBPeO
Name 4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 2-[[(2-fluorophenyl)methyl]thio]-3,5,6,7-tetrahydro-3-phenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.076633685 u
Formula C22H17FN2OS2
InChI InChI=1S/C22H17FN2OS2/c23-17-11-5-4-7-14(17)13-27-22-24-20-19(16-10-6-12-18(16)28-20)21(26)25(22)15-8-2-1-3-9-15/h1-5,7-9,11H,6,10,12-13H2
InChIKey IKPVJVPIVRXZOF-UHFFFAOYSA-N
Molecular Weight 408.509 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15173
Solvent DMSO-d6
Source Vendor ID: NMR/10311255; Lab Info: LP; Lab Number: LP-2101532