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N-(4-chlorophenyl)-2-[1-(2,2-diphenylethyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-ethanamide
SpectraBase Compound ID HBRTrHbXc1u
InChI InChI=1S/C26H23ClN2O3S/c27-20-11-13-21(14-12-20)28-24(30)17-33-23-15-25(31)29(26(23)32)16-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22-23H,15-17H2,(H,28,30)
InChIKey IHENIVMXTWMAPE-UHFFFAOYSA-N
Mol Weight 478.99 g/mol
Molecular Formula C26H23ClN2O3S
Exact Mass 478.111791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jqbrb5OVT39
Name N-(4-Chlorophenyl)-2-[1-(2,2-diphenylethyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-ethanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.111791480 u
Formula C26H23ClN2O3S
InChI InChI=1S/C26H23ClN2O3S/c27-20-11-13-21(14-12-20)28-24(30)17-33-23-15-25(31)29(26(23)32)16-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22-23H,15-17H2,(H,28,30)
InChIKey IHENIVMXTWMAPE-UHFFFAOYSA-N
Molecular Weight 478.994 g/mol
SMILES C1=CC=C(C(CN2C(C(SCC(NC=3C=CC(=CC3)Cl)=O)CC2=O)=O)C2=CC=CC=C2)C=C1