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N-[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-ethyl-N-(4-methoxybenzyl)thiourea
SpectraBase Compound ID AjvqrDz03pN
InChI InChI=1S/C23H27N3O4S/c1-4-24-23(31)25(15-16-6-10-18(29-3)11-7-16)20-14-21(27)26(22(20)28)17-8-12-19(13-9-17)30-5-2/h6-13,20H,4-5,14-15H2,1-3H3,(H,24,31)
InChIKey AHFRUIGGNIFVPP-UHFFFAOYSA-N
Mol Weight 441.55 g/mol
Molecular Formula C23H27N3O4S
Exact Mass 441.172228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GLjHyvL2LrL
Name N-[1-(4-Ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-ethyl-N-(4-methoxybenzyl)thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.172227531 u
Formula C23H27N3O4S
InChI InChI=1S/C23H27N3O4S/c1-4-24-23(31)25(15-16-6-10-18(29-3)11-7-16)20-14-21(27)26(22(20)28)17-8-12-19(13-9-17)30-5-2/h6-13,20H,4-5,14-15H2,1-3H3,(H,24,31)
InChIKey AHFRUIGGNIFVPP-UHFFFAOYSA-N
Molecular Weight 441.546 g/mol
SMILES N(C(N(C1C(N(C(C1)=O)C=1C=CC(=CC1)OCC)=O)CC=1C=CC(=CC1)OC)=S)CC