| SpectraBase Spectrum ID |
8xAfpx6ZRaD |
| Name |
3-Amino-4-chloro-5-cyano-6-fluoro-2-phenylethynyl-benzoic acid ethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H12ClFN2O2 |
| InChI |
InChI=1S/C18H12ClFN2O2/c1-2-24-18(23)14-12(9-8-11-6-4-3-5-7-11)17(22)15(19)13(10-21)16(14)20/h3-7H,2,22H2,1H3 |
| InChIKey |
IKBJSMKHXWTFHF-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1021/ol7025872 |
| Molecular Weight |
342.757 g/mol |
| SMILES |
Nc1c(c(C(=O)OCC)c(F)c(c1Cl)C#N)C#Cc1ccccc1 |
| SPLASH |
splash10-03xv-0069000000-216d5b5ae970b94eb950 |
| Source of Spectrum |
A1-10-113/SM27-2h |
| Synonyms |
Ethyl 3-amino-4-chloro-5-cyano-6-fluoro-2-(phenylethynyl)benzoate |
| Wiley ID |
1758929 |
