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2-(2,5-Dimethylphenylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid, phenyl ester
SpectraBase Compound ID HT6NfHfzLRh
InChI InChI=1S/C20H22N2O4/c1-13-8-9-14(2)17(10-13)21-19(24)18-11-15(23)12-22(18)20(25)26-16-6-4-3-5-7-16/h3-10,15,18,23H,11-12H2,1-2H3,(H,21,24)
InChIKey RTELDWWAFAFRQZ-UHFFFAOYSA-N
Mol Weight 354.41 g/mol
Molecular Formula C20H22N2O4
Exact Mass 354.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8tgCNFWMs6N
Name 2-(2,5-Dimethylphenylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid, phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 354.157957192 u
Formula C20H22N2O4
InChI InChI=1S/C20H22N2O4/c1-13-8-9-14(2)17(10-13)21-19(24)18-11-15(23)12-22(18)20(25)26-16-6-4-3-5-7-16/h3-10,15,18,23H,11-12H2,1-2H3,(H,21,24)
InChIKey RTELDWWAFAFRQZ-UHFFFAOYSA-N
Molecular Weight 354.406 g/mol
SMILES C1(N(C(OC2=CC=CC=C2)=O)CC(C1)O)C(NC1=C(C=CC(=C1)C)C)=O