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N'-ethyl-N-[1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N-(4-methoxybenzyl)thiourea
SpectraBase Compound ID G7TUQjIsCZw
InChI InChI=1S/C21H22FN3O3S/c1-3-23-21(29)24(13-14-4-10-17(28-2)11-5-14)18-12-19(26)25(20(18)27)16-8-6-15(22)7-9-16/h4-11,18H,3,12-13H2,1-2H3,(H,23,29)
InChIKey AVWGGFRYGBQBJS-UHFFFAOYSA-N
Mol Weight 415.48 g/mol
Molecular Formula C21H22FN3O3S
Exact Mass 415.136591 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ld8OfyVl3A2
Name N'-Ethyl-N-[1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N-(4-methoxybenzyl)thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.136590914 u
Formula C21H22FN3O3S
InChI InChI=1S/C21H22FN3O3S/c1-3-23-21(29)24(13-14-4-10-17(28-2)11-5-14)18-12-19(26)25(20(18)27)16-8-6-15(22)7-9-16/h4-11,18H,3,12-13H2,1-2H3,(H,23,29)
InChIKey AVWGGFRYGBQBJS-UHFFFAOYSA-N
Molecular Weight 415.483 g/mol
SMILES N(C(N(C1C(N(C(C1)=O)C=1C=CC(=CC1)F)=O)CC1=CC=C(C=C1)OC)=S)CC