| SpectraBase Spectrum ID |
8XYf2c0Lxy |
| Name |
5-Amino-7-bromo-3-tert-butyl-4-chloro-6-phenylethynyl-3H-isobenzofuran-1-one |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H17BrClNO2 |
| InChI |
InChI=1S/C20H17BrClNO2/c1-20(2,3)18-14-13(19(24)25-18)15(21)12(17(23)16(14)22)10-9-11-7-5-4-6-8-11/h4-8,18H,23H2,1-3H3 |
| InChIKey |
IHIXIBNBGAIOKX-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1021/ol7025872 |
| Molecular Weight |
418.718 g/mol |
| SMILES |
Nc1c(c(Br)c2c(c1Cl)C(OC2=O)C(C)(C)C)C#Cc1ccccc1 |
| SPLASH |
splash10-03di-0009100000-44f67b89491df0de8baf |
| Source of Spectrum |
A1-10-113/SM8-2a |
| Synonyms |
5-Amino-7-bromo-3-(tert-butyl)-4-chloro-6-(phenylethynyl)isobenzofuran-1(3H)-one |
| Wiley ID |
1758923 |
