SpectraBase Spectrum ID |
5332E33j0ZJ |
Name |
1-(o-Biphenyl)-5-oxo-3-pyrrolidinecarboxylic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
281.105193344 u |
Formula |
C17H15NO3 |
InChI |
InChI=1S/C17H15NO3/c19-16-10-13(17(20)21)11-18(16)15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,20,21) |
InChIKey |
ISSGTEFJBZUYEX-UHFFFAOYSA-N |
Molecular Weight |
281.311 g/mol |
SMILES |
OC(C1CC(N(C1)C1=CC=CC=C1C1=CC=CC=C1)=O)=O |
Spectrum/Structure Validation Score (Raman) |
0.917049 |