| SpectraBase Spectrum ID |
1xkZBhY9JIV |
| Name |
2-(4-Methoxyphenyl)-3-oxo-3-(3-methoxy-4,5-methylenedioxyphenyl)propanenitrile |
| Appearance |
Oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H15NO5 |
| InChI |
InChI=1S/C18H15NO5/c1-21-13-5-3-11(4-6-13)14(9-19)17(20)12-7-15(22-2)18-16(8-12)23-10-24-18/h3-8,14H,10H2,1-2H3 |
| InChIKey |
KJYNNLFVAYHMAZ-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT/INCOS 50 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np400310m |
| Molecular Weight |
325.320 g/mol |
| SMILES |
c12c(c(OC)cc(C(=O)C(c3ccc(cc3)OC)C#N)c1)OCO2 |
| SPLASH |
splash10-004j-8900000000-fcc81f615f93aa9fc1d0 |
| Source of Spectrum |
G4-76-1489-11b |
| Wiley ID |
1865694 |
