| SpectraBase Spectrum ID |
RjjqX5z2M3 |
| Name |
(E,2SR,4RS)-2-(2-methylene-4-(ethoxycarbonyl)-3-butenyl)-4-methyl-6-oxocyclohexanepropanenitrile |
| Alternate Name(s) |
Ethyl (2E)-4-{[2-(2-cyanoethyl)-5-methyl-3-oxocyclohexyl]methyl}-2,4-pentadienoate |
| CAS Registry Number |
118892-14-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H25NO3 |
| InChI |
InChI=1S/C18H25NO3/c1-4-22-18(21)8-7-13(2)10-15-11-14(3)12-17(20)16(15)6-5-9-19/h7-8,14-16H,2,4-6,10-12H2,1,3H3/b8-7+ |
| InChIKey |
ANBQJVZQWVEHRB-BQYQJAHWSA-N |
| Molecular Weight |
303.402 g/mol |
| SMILES |
C1(C(C(CC(\C=C\C(=O)OCC)=C)CC(C1)C)CCC#N)=O |
| SPLASH |
splash10-0cds-9511000000-6d75fd8f10e7a201dd5a |
| Source of Spectrum |
J-54-1557-18 |
| Wiley ID |
1305727 |
