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3-Hydroxy-1-methoxycarbonylmethyl-5-oxo-3-phenyl-pyrrolidin-2-carboxylic acid, methyl ester
SpectraBase Compound ID Dcl4LV6aR7p
InChI InChI=1S/C15H17NO6/c1-21-12(18)9-16-11(17)8-15(20,13(16)14(19)22-2)10-6-4-3-5-7-10/h3-7,13,20H,8-9H2,1-2H3
InChIKey GUWGDDFVVHAJLV-UHFFFAOYSA-N
Mol Weight 307.3 g/mol
Molecular Formula C15H17NO6
Exact Mass 307.105587 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 392wfzmfuCQ
Name 3-Hydroxy-1-methoxycarbonylmethyl-5-oxo-3-phenyl-pyrrolidin-2-carboxylic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.105587265 u
Formula C15H17NO6
InChI InChI=1S/C15H17NO6/c1-21-12(18)9-16-11(17)8-15(20,13(16)14(19)22-2)10-6-4-3-5-7-10/h3-7,13,20H,8-9H2,1-2H3
InChIKey GUWGDDFVVHAJLV-UHFFFAOYSA-N
Molecular Weight 307.302 g/mol
SMILES C1(N(C(=O)CC1(O)C1=CC=CC=C1)CC(OC)=O)C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900434