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4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 3,5,6,7-tetrahydro-2-(methylthio)-3-phenyl-
SpectraBase Compound ID FMLsGEpqL0j
InChI InChI=1S/C16H14N2OS2/c1-20-16-17-14-13(11-8-5-9-12(11)21-14)15(19)18(16)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKey UFLSRRPSVCFESK-UHFFFAOYSA-N
Mol Weight 314.42 g/mol
Molecular Formula C16H14N2OS2
Exact Mass 314.054755 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6ep9cTqSDeO
Name 4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, 3,5,6,7-tetrahydro-2-(methylthio)-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 314.054755426 u
Formula C16H14N2OS2
InChI InChI=1S/C16H14N2OS2/c1-20-16-17-14-13(11-8-5-9-12(11)21-14)15(19)18(16)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKey UFLSRRPSVCFESK-UHFFFAOYSA-N
Molecular Weight 314.421 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6602
Solvent DMSO-d6
Source Vendor ID: NMR/9223360; Lab Info: LP; Lab Number: LP-2190392