| SpectraBase Spectrum ID |
JuPnIQSDAkC |
| Name |
Propanedioic acid, [4,4-dimethyl-1-(4-nitrophenyl)-2-pentenyl]methyl-, diethyl ester, (E)- |
| Alternate Name(s) |
Diethyl 2-[(2E)-4,4-dimethyl-1-(4-nitrophenyl)-2-pentenyl]-2-methylmalonate
Diethyl ester of 2-[(E)-4',4'-dimethyl-1'-p-nitrophenylpent-2'-enyl]-2-methylmalonic acid |
| CAS Registry Number |
71269-10-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H29NO6 |
| InChI |
InChI=1S/C21H29NO6/c1-7-27-18(23)21(6,19(24)28-8-2)17(13-14-20(3,4)5)15-9-11-16(12-10-15)22(25)26/h9-14,17H,7-8H2,1-6H3/b14-13+ |
| InChIKey |
NKIOUXHZQUHBGK-BUHFOSPRSA-N |
| Molecular Weight |
391.464 g/mol |
| SMILES |
C(C(\C=C\C(C)(C)C)c1ccc(N(=O)=O)cc1)(C(=O)OCC)(C(=O)OCC)C |
| SPLASH |
splash10-0aor-4930000000-ee89878509ea5148a6e0 |
| Source of Spectrum |
B-36-544-0 |
| Wiley ID |
1365350 |
![Propanedioic acid, [4,4-dimethyl-1-(4-nitrophenyl)-2-pentenyl]methyl-, diethyl ester, (E)-](/api/spectrum/JuPnIQSDAkC/structure.png?h=300&w=458 "Propanedioic acid, [4,4-dimethyl-1-(4-nitrophenyl)-2-pentenyl]methyl-, diethyl ester, (E)-")
