| SpectraBase Spectrum ID |
7G4bu8ygbTm |
| Name |
1,3-Benzodioxole-4-carboxylic acid, 5-(1-cyanoethyl)-, ethyl ester, (.+-.)- |
| Alternate Name(s) |
.alpha.-methyl(2-(ethoxycarbonyl)-3,4-(methylenedioxy)phenyl)acetonitrile
Ethyl 5-(1-cyanoethyl)-1,3-benzodioxole-4-carboxylate |
| CAS Registry Number |
83607-71-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13NO4 |
| InChI |
InChI=1S/C13H13NO4/c1-3-16-13(15)11-9(8(2)6-14)4-5-10-12(11)18-7-17-10/h4-5,8H,3,7H2,1-2H3 |
| InChIKey |
HYFZSONXAIYJLG-UHFFFAOYSA-N |
| Molecular Weight |
247.250 g/mol |
| SMILES |
c1(c2c(OCO2)ccc1C(C#N)C)C(=O)OCC |
| SPLASH |
splash10-0uxr-0390000000-77141a5afe98d0286648 |
| Source of Spectrum |
C-105-2876-0 |
| Wiley ID |
1249927 |
