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carbamimidothioic acid, N,N'-diphenyl-, 1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl ester

View entire compound with spectra: 2 NMR

carbamimidothioic acid, N,N'-diphenyl-, 1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl ester
SpectraBase Compound ID EbRF99s5Qgh
InChI InChI=1S/C23H18FN3O2S/c24-16-11-13-19(14-12-16)27-21(28)15-20(22(27)29)30-23(25-17-7-3-1-4-8-17)26-18-9-5-2-6-10-18/h1-14,20H,15H2,(H,25,26)
InChIKey MUXSULRFKZRKTD-UHFFFAOYSA-N
Mol Weight 419.47 g/mol
Molecular Formula C23H18FN3O2S
Exact Mass 419.110376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FVPcDi3UUHQ
Name Carbamimidothioic acid, N,N'-diphenyl-, 1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.110376167 u
Formula C23H18FN3O2S
InChI InChI=1S/C23H18FN3O2S/c24-16-11-13-19(14-12-16)27-21(28)15-20(22(27)29)30-23(25-17-7-3-1-4-8-17)26-18-9-5-2-6-10-18/h1-14,20H,15H2,(H,25,26)
InChIKey MUXSULRFKZRKTD-UHFFFAOYSA-N
Molecular Weight 419.474 g/mol
SMILES N(\C(SC1C(N(C(C1)=O)C=1C=CC(=CC1)F)=O)=N\C1=CC=CC=C1)C=1C=CC=CC1