| SpectraBase Spectrum ID |
EToZ9NGzX5i |
| Name |
3-Amino-5-bromo-2-chloro-6-cyano-4-hex-1-ynyl-benzoic acid ethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H16BrClN2O2 |
| InChI |
InChI=1S/C16H16BrClN2O2/c1-3-5-6-7-8-10-13(17)11(9-19)12(14(18)15(10)20)16(21)22-4-2/h3-6,20H2,1-2H3 |
| InChIKey |
PPWHXYCFKLSTHH-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1021/ol7025872 |
| Molecular Weight |
383.673 g/mol |
| SMILES |
Nc1c(c(c(c(c1Cl)C(OCC)=O)C#N)Br)C#CCCCC |
| SPLASH |
splash10-053r-0009000000-5e98a27b60d01cd66c78 |
| Source of Spectrum |
A1-10-113/SM11-2i |
| Synonyms |
Ethyl 3-amino-5-bromo-2-chloro-6-cyano-4-(hex-1-yn-1-yl)benzoate |
| Wiley ID |
1758930 |
