| SpectraBase Spectrum ID |
47oQcZdJDF8 |
| Name |
3-[1-Cyano-1-(methoxycarbonyl)ethyl]benzoic acid 2,2,4,4-tetramethyl-3-oxopentyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H27NO5 |
| InChI |
InChI=1S/C21H27NO5/c1-19(2,3)17(24)20(4,5)13-27-16(23)14-9-8-10-15(11-14)21(6,12-22)18(25)26-7/h8-11H,13H2,1-7H3 |
| InChIKey |
PTKWCGOSULZXFE-UHFFFAOYSA-N |
| Molecular Weight |
373.449 g/mol |
| SMILES |
C(c1cc(ccc1)C(C)(C(=O)OC)C#N)(=O)OCC(C(C(C)(C)C)=O)(C)C |
| SPLASH |
splash10-014i-2091000000-d3071ac60e9e1903b296 |
| Source of Spectrum |
KC-61-9582-15 |
| Synonyms |
2,2,4,4-tetramethyl-3-oxopentyl 3-(1-cyano-2-methoxy-1-methyl-2-oxoethyl)benzoate |
| Wiley ID |
1630754 |
![3-[1-Cyano-1-(methoxycarbonyl)ethyl]benzoic acid 2,2,4,4-tetramethyl-3-oxopentyl ester](/api/spectrum/47oQcZdJDF8/structure.png?h=300&w=458 "3-[1-Cyano-1-(methoxycarbonyl)ethyl]benzoic acid 2,2,4,4-tetramethyl-3-oxopentyl ester")
