| SpectraBase Spectrum ID |
9kTkaEPFHEv |
| Name |
4-(2-Chloro-phenyl)-1-cyclopropyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.092435760 u |
| Formula |
C18H18ClNO4 |
| InChI |
InChI=1S/C18H18ClNO4/c1-23-17(21)13-9-20(11-7-8-11)10-14(18(22)24-2)16(13)12-5-3-4-6-15(12)19/h3-6,9-11,16H,7-8H2,1-2H3 |
| InChIKey |
YBWJBAWGQYZYCR-UHFFFAOYSA-N |
| Molecular Weight |
347.798 g/mol |
| SMILES |
C=1(C(C(C(=O)OC)=CN(C1)C1CC1)C=1C(Cl)=CC=CC1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843236 |
