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4-Hydroxypyrrolidine-1-carboxylic acid, 2-cycloheptylcarbamoyl-, benzyl ester

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4-Hydroxypyrrolidine-1-carboxylic acid, 2-cycloheptylcarbamoyl-, benzyl ester
SpectraBase Compound ID GroZTEKs42
InChI InChI=1S/C20H28N2O4/c23-17-12-18(19(24)21-16-10-6-1-2-7-11-16)22(13-17)20(25)26-14-15-8-4-3-5-9-15/h3-5,8-9,16-18,23H,1-2,6-7,10-14H2,(H,21,24)
InChIKey VJMZIVMLTLPVFE-UHFFFAOYSA-N
Mol Weight 360.45 g/mol
Molecular Formula C20H28N2O4
Exact Mass 360.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HbPVdG2eMMo
Name 4-Hydroxypyrrolidine-1-carboxylic acid, 2-cycloheptylcarbamoyl-, benzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.204907386 u
Formula C20H28N2O4
InChI InChI=1S/C20H28N2O4/c23-17-12-18(19(24)21-16-10-6-1-2-7-11-16)22(13-17)20(25)26-14-15-8-4-3-5-9-15/h3-5,8-9,16-18,23H,1-2,6-7,10-14H2,(H,21,24)
InChIKey VJMZIVMLTLPVFE-UHFFFAOYSA-N
Molecular Weight 360.454 g/mol
SMILES C1CCC(NC(C2N(C(OCC3=CC=CC=C3)=O)CC(C2)O)=O)CCC1