SpectraBase Spectrum ID |
6zqA4Uxub9T |
Name |
Pyrrolidine-3-carboxamide, 1-(4-methoxyphenyl)-5-oxo-N-(2-methylpropyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
290.163042573 u |
Formula |
C16H22N2O3 |
InChI |
InChI=1S/C16H22N2O3/c1-11(2)9-17-16(20)12-8-15(19)18(10-12)13-4-6-14(21-3)7-5-13/h4-7,11-12H,8-10H2,1-3H3,(H,17,20) |
InChIKey |
ZBGHRUNJWVUIMN-UHFFFAOYSA-N |
SMILES |
CC(C)CNC(C1CC(N(C1)C1=CC=C(OC)C=C1)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88082 |