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(2S)-2-carbamoyl-1-pyrrolidinecarboxylic acid (phenylmethyl) ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(2S)-2-carbamoyl-1-pyrrolidinecarboxylic acid (phenylmethyl) ester
SpectraBase Compound ID I6OWPIXExZs
InChI InChI=1S/C13H16N2O3/c14-12(16)11-7-4-8-15(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,14,16)/t11-/m0/s1
InChIKey ZCGHEBMEQXMRQL-NSHDSACASA-N
Mol Weight 248.28 g/mol
Molecular Formula C13H16N2O3
Exact Mass 248.116092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xcPiT2GK9N
Name (2S)-2-Carbamoyl-1-pyrrolidinecarboxylic acid (phenylmethyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.116092380 u
Formula C13H16N2O3
InChI InChI=1S/C13H16N2O3/c14-12(16)11-7-4-8-15(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,14,16)/t11-/m0/s1
InChIKey ZCGHEBMEQXMRQL-NSHDSACASA-N
Molecular Weight 248.282 g/mol
SMILES C(N1[C@](C(=O)N)(CCC1)[H])(OCC=1C=CC=CC1)=O