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1-(4-Fluorophenyl)-3-[(4-methyl-2-pyrimidinyl)sulfanyl]-2,5-pyrrolidinedione

View entire compound with spectra: 2 NMR

1-(4-Fluorophenyl)-3-[(4-methyl-2-pyrimidinyl)sulfanyl]-2,5-pyrrolidinedione
SpectraBase Compound ID 2igFzRNA546
InChI InChI=1S/C15H12FN3O2S/c1-9-6-7-17-15(18-9)22-12-8-13(20)19(14(12)21)11-4-2-10(16)3-5-11/h2-7,12H,8H2,1H3
InChIKey DLJKNCVJBUWFSH-UHFFFAOYSA-N
Mol Weight 317.34 g/mol
Molecular Formula C15H12FN3O2S
Exact Mass 317.063426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HIuV6R71wwf
Name 1-(4-Fluorophenyl)-3-[(4-methyl-2-pyrimidinyl)sulfanyl]-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.063425973 u
Formula C15H12FN3O2S
InChI InChI=1S/C15H12FN3O2S/c1-9-6-7-17-15(18-9)22-12-8-13(20)19(14(12)21)11-4-2-10(16)3-5-11/h2-7,12H,8H2,1H3
InChIKey DLJKNCVJBUWFSH-UHFFFAOYSA-N
Molecular Weight 317.338 g/mol
SMILES CC1=NC(SC2C(N(C(C2)=O)C=2C=CC(=CC2)F)=O)=NC=C1