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N-(1-benzyl-2-hydroxyethyl)-3-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]propanamide
SpectraBase Compound ID CeeaIt1FyBm
InChI InChI=1S/C22H22N2O4S/c25-15-18(13-16-7-3-1-4-8-16)23-20(26)11-12-24-21(27)19(29-22(24)28)14-17-9-5-2-6-10-17/h1-10,14,18,25H,11-13,15H2,(H,23,26)/b19-14+
InChIKey JMWDXKWWCGJVST-XMHGGMMESA-N
Mol Weight 410.49 g/mol
Molecular Formula C22H22N2O4S
Exact Mass 410.130028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C0y1piBfz1o
Name N-(1-Benzyl-2-hydroxyethyl)-3-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.130028366 u
Formula C22H22N2O4S
InChI InChI=1S/C22H22N2O4S/c25-15-18(13-16-7-3-1-4-8-16)23-20(26)11-12-24-21(27)19(29-22(24)28)14-17-9-5-2-6-10-17/h1-10,14,18,25H,11-13,15H2,(H,23,26)/b19-14+
InChIKey JMWDXKWWCGJVST-XMHGGMMESA-N
Molecular Weight 410.488 g/mol
SMILES N(C(CCN1C(S\C(C1=O)=C/C=1C=CC=CC1)=O)=O)C(CO)CC1=CC=CC=C1