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3-(2-phenylethyl)-2-thioxo-1,2,3,5,6,7-hexahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID EEO9r0ruVsi
InChI InChI=1S/C17H16N2OS2/c20-16-14-12-7-4-8-13(12)22-15(14)18-17(21)19(16)10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,18,21)
InChIKey VULGALACVZUJNW-UHFFFAOYSA-N
Mol Weight 328.45 g/mol
Molecular Formula C17H16N2OS2
Exact Mass 328.070405 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LcoEYRlMiIR
Name 3-(2-phenylethyl)-2-thioxo-1,2,3,5,6,7-hexahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.070405490 u
Formula C17H16N2OS2
InChI InChI=1S/C17H16N2OS2/c20-16-14-12-7-4-8-13(12)22-15(14)18-17(21)19(16)10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,18,21)
InChIKey VULGALACVZUJNW-UHFFFAOYSA-N
Molecular Weight 328.448 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3302
Solvent DMSO-d6
Source Vendor ID: NMR/12288815