| SpectraBase Spectrum ID |
IKmltJGoOED |
| Name |
4-(6-Amino-1-tert-butyl-7-chloro-3-oxo-5-phenylethynyl-1,3-dihydro-isobenzofuran-4-yl)-benzonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H21ClN2O2 |
| InChI |
InChI=1S/C27H21ClN2O2/c1-27(2,3)25-22-21(26(31)32-25)20(18-12-9-17(15-29)10-13-18)19(24(30)23(22)28)14-11-16-7-5-4-6-8-16/h4-10,12-13,25H,30H2,1-3H3 |
| InChIKey |
QVDHSJJCKXVUJP-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1021/ol7025872 |
| Molecular Weight |
440.930 g/mol |
| SMILES |
Nc1c(C#Cc2ccccc2)c(c2C(OC(c2c1Cl)C(C)(C)C)=O)-c1ccc(cc1)C#N |
| SPLASH |
splash10-001i-1029200000-9592a821161aae366a24 |
| Source of Spectrum |
A1-10-113/SM25-2d |
| Synonyms |
4-(6-amino-1-(tert-butyl)-7-chloro-3-oxo-5-(phenylethynyl)-1,3-dihydroisobenzofuran-4-yl)benzonitrile |
| Wiley ID |
1758926 |
