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carbamimidothioic acid, N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-, 1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl ester

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carbamimidothioic acid, N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-, 1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl ester
SpectraBase Compound ID II2sBGdi66I
InChI InChI=1S/C26H23F2N3O3S/c1-34-22-12-2-17(3-13-22)14-15-29-26(30-20-8-4-18(27)5-9-20)35-23-16-24(32)31(25(23)33)21-10-6-19(28)7-11-21/h2-13,23H,14-16H2,1H3,(H,29,30)
InChIKey LGSHATBNIUEKBW-UHFFFAOYSA-N
Mol Weight 495.54 g/mol
Molecular Formula C26H23F2N3O3S
Exact Mass 495.142819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IaY60zPKXd6
Name Carbamimidothioic acid, N'-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-, 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 495.142819110 u
Formula C26H23F2N3O3S
InChI InChI=1S/C26H23F2N3O3S/c1-34-22-12-2-17(3-13-22)14-15-29-26(30-20-8-4-18(27)5-9-20)35-23-16-24(32)31(25(23)33)21-10-6-19(28)7-11-21/h2-13,23H,14-16H2,1H3,(H,29,30)
InChIKey LGSHATBNIUEKBW-UHFFFAOYSA-N
Molecular Weight 495.545 g/mol
SMILES N(\C(SC1C(N(C(C1)=O)C=1C=CC(=CC1)F)=O)=N/C1=CC=C(C=C1)F)CCC=1C=CC(=CC1)OC