| SpectraBase Spectrum ID |
JJCM6m1NJX3 |
| Name |
2-(Chloromethyl)-1-[3'-(3'',4''-dimethoxyphenyl)-2'-(p-methoxyphenyl)prop-2'-enyl]-piperidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
415.191421527 u |
| Formula |
C24H30ClNO3 |
| InChI |
InChI=1S/C24H30ClNO3/c1-27-22-10-8-19(9-11-22)20(17-26-13-5-4-6-21(26)16-25)14-18-7-12-23(28-2)24(15-18)29-3/h7-12,14-15,21H,4-6,13,16-17H2,1-3H3/b20-14- |
| InChIKey |
PUCKGQLQLSBSFM-ZHZULCJRSA-N |
| Molecular Weight |
415.961 g/mol |
| SMILES |
C=1(\C=C\(CN2C(CCl)CCCC2)C=2C=CC(=CC2)OC)C=C(OC)C(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856191 |
![2-(Chloromethyl)-1-[3'-(3",4"-dimethoxyphenyl)-2'-(p-methoxyphenyl)prop-2'-enyl]-piperidine](/api/spectrum/JJCM6m1NJX3/structure.png?h=300&w=458 "2-(Chloromethyl)-1-[3'-(3\",4\"-dimethoxyphenyl)-2'-(p-methoxyphenyl)prop-2'-enyl]-piperidine")
