SpectraBase Spectrum ID |
EPe13iJLqoD |
Name |
6'-Chloro-1-piperidinecarboxy-o-toluidide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
252.102940874 u |
Formula |
C13H17ClN2O |
InChI |
InChI=1S/C13H17ClN2O/c1-10-6-5-7-11(14)12(10)15-13(17)16-8-3-2-4-9-16/h5-7H,2-4,8-9H2,1H3,(H,15,17) |
InChIKey |
DKZWFBINKZDFEK-UHFFFAOYSA-N |
Molecular Weight |
252.745 g/mol |
SMILES |
N(C(N1CCCCC1)=O)C=1C(=CC=CC1Cl)C |
Spectrum/Structure Validation Score (Raman) |
0.938454 |