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alpha,alpha-Diphenyl-1-ethyl-3-pyrrolidineacetic acid, ethyl ester

View entire compound with spectra: 1 FTIR, and 1 Raman

alpha,alpha-Diphenyl-1-ethyl-3-pyrrolidineacetic acid, ethyl ester
SpectraBase Compound ID 8Cil1ZATQf2
InChI InChI=1S/C22H27NO2/c1-3-23-16-15-20(17-23)22(21(24)25-4-2,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3
InChIKey VJVLETFSCOGALQ-UHFFFAOYSA-N
Mol Weight 337.46 g/mol
Molecular Formula C22H27NO2
Exact Mass 337.204179 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID ChfBS7RU86g
Name alpha,alpha-Diphenyl-1-ethyl-3-pyrrolidineacetic acid, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.204179111 u
Formula C22H27NO2
InChI InChI=1S/C22H27NO2/c1-3-23-16-15-20(17-23)22(21(24)25-4-2,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3
InChIKey VJVLETFSCOGALQ-UHFFFAOYSA-N
Molecular Weight 337.463 g/mol
SMILES CCN1CC(C(C=2C=CC=CC2)(C=2C=CC=CC2)C(OCC)=O)CC1
Spectrum/Structure Validation Score (Raman) 0.99292