| SpectraBase Spectrum ID |
JRCQBdOxgrS |
| Name |
3-[1-Cyano-3,3-bis(methoxycarbonyl)propyl]benzoic acid 2,2,4,4-tetramethyl-3-oxopentyl ester |
| Alternate Name(s) |
Dimethyl 2-[2-cyano-2-(3-{[(2,2,4,4-tetramethyl-3-oxopentyl)oxy]carbonyl}phenyl)ethyl]malonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H31NO7 |
| InChI |
InChI=1S/C24H31NO7/c1-23(2,3)22(29)24(4,5)14-32-19(26)16-10-8-9-15(11-16)17(13-25)12-18(20(27)30-6)21(28)31-7/h8-11,17-18H,12,14H2,1-7H3 |
| InChIKey |
PBTSBFKWZZAYCH-UHFFFAOYSA-N |
| Molecular Weight |
445.512 g/mol |
| SMILES |
C(c1cc(ccc1)C(CC(C(=O)OC)C(=O)OC)C#N)(=O)OCC(C(C(C)(C)C)=O)(C)C |
| SPLASH |
splash10-052r-5791000000-b09a9a380e05c9a26cd5 |
| Source of Spectrum |
KC-61-9583-24 |
| Wiley ID |
1630752 |
![3-[1-Cyano-3,3-bis(methoxycarbonyl)propyl]benzoic acid 2,2,4,4-tetramethyl-3-oxopentyl ester](/api/spectrum/JRCQBdOxgrS/structure.png?h=300&w=458 "3-[1-Cyano-3,3-bis(methoxycarbonyl)propyl]benzoic acid 2,2,4,4-tetramethyl-3-oxopentyl ester")
