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3,3-Dimethyl-4-{[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl}butanoic acid

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3,3-Dimethyl-4-{[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl}butanoic acid
SpectraBase Compound ID KOUCWBnsn1r
InChI InChI=1S/C17H22N2O4/c1-17(2,11-16(22)23)10-14(20)18-12-5-7-13(8-6-12)19-9-3-4-15(19)21/h5-8H,3-4,9-11H2,1-2H3,(H,18,20)(H,22,23)
InChIKey HDPKBAFUWIONOQ-UHFFFAOYSA-N
Mol Weight 318.37 g/mol
Molecular Formula C17H22N2O4
Exact Mass 318.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qu0udaCHbN
Name 3,3-Dimethyl-4-{[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl}butanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.157957192 u
Formula C17H22N2O4
InChI InChI=1S/C17H22N2O4/c1-17(2,11-16(22)23)10-14(20)18-12-5-7-13(8-6-12)19-9-3-4-15(19)21/h5-8H,3-4,9-11H2,1-2H3,(H,18,20)(H,22,23)
InChIKey HDPKBAFUWIONOQ-UHFFFAOYSA-N
Molecular Weight 318.373 g/mol
SMILES CC(CC(NC=1C=CC(N2C(=O)CCC2)=CC1)=O)(CC(=O)O)C