| SpectraBase Spectrum ID |
K2BpxajEg7W |
| Name |
3-[Cyano(methoxycarbonyl)methyl)benzoic acid 2,2,4,4-tetramethyl-3-oxopentyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H25NO5 |
| InChI |
InChI=1S/C20H25NO5/c1-19(2,3)18(24)20(4,5)12-26-16(22)14-9-7-8-13(10-14)15(11-21)17(23)25-6/h7-10,15H,12H2,1-6H3 |
| InChIKey |
CBPSWMZFFGATNZ-UHFFFAOYSA-N |
| Molecular Weight |
359.422 g/mol |
| SMILES |
C(c1cc(C(OCC(C(C(C)(C)C)=O)(C)C)=O)ccc1)(C(=O)OC)C#N |
| SPLASH |
splash10-0zor-4091000000-928f50693c28fa1cbd99 |
| Source of Spectrum |
KC-61-9581-10 |
| Synonyms |
2,2,4,4-tetramethyl-3-oxopentyl 3-(1-cyano-2-methoxy-2-oxoethyl)benzoate |
| Wiley ID |
1630756 |
