| SpectraBase Spectrum ID |
DBQM0MxdqWf |
| Name |
6-Amino-1-tert-butyl-7-chloro-3-oxo-5-phenylethynyl-1,3-dihydroisobenzofuran-4-carbonitrile |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H17ClN2O2 |
| InChI |
InChI=1S/C21H17ClN2O2/c1-21(2,3)19-16-15(20(25)26-19)14(11-23)13(18(24)17(16)22)10-9-12-7-5-4-6-8-12/h4-8,19H,24H2,1-3H3 |
| InChIKey |
SXUKAKHZVNZFJA-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1021/ol7025872 |
| Molecular Weight |
364.832 g/mol |
| SMILES |
Nc1c(c(C#N)c2C(OC(c2c1Cl)C(C)(C)C)=O)C#Cc1ccccc1 |
| SPLASH |
splash10-0a4i-4139000000-7eada65a225c6db77364 |
| Source of Spectrum |
A1-10-113/SM23-2b |
| Synonyms |
6-Amino-1-(tert-butyl)-7-chloro-3-oxo-5-(phenylethynyl)-1,3-dihydroisobenzofuran-4-carbonitrile |
| Wiley ID |
1758924 |
