| SpectraBase Spectrum ID |
F86UBuNTvCT |
| Name |
1-(3,4-Dimethoxy-phenyl)-cyclopentanecarboxylic acid 2-chloro-benzylamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.144471334 u |
| Formula |
C21H24ClNO3 |
| InChI |
InChI=1S/C21H24ClNO3/c1-25-18-10-9-16(13-19(18)26-2)21(11-5-6-12-21)20(24)23-14-15-7-3-4-8-17(15)22/h3-4,7-10,13H,5-6,11-12,14H2,1-2H3,(H,23,24) |
| InChIKey |
UANCZAQPQYSWND-UHFFFAOYSA-N |
| Molecular Weight |
373.880 g/mol |
| SMILES |
C1(C(NCC2=CC=CC=C2Cl)=O)(C2=CC(OC)=C(C=C2)OC)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911204 |
