| SpectraBase Spectrum ID |
AucHu5Yckdh |
| Name |
3-(2-Oxocyclohexyl)-2-(prop-2-ynyl)isoindolin-1-one |
| Appearance |
Yellow viscous oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.125928789 u |
| Formula |
C17H17NO2 |
| InChI |
InChI=1S/C17H17NO2/c1-2-11-18-16(14-9-5-6-10-15(14)19)12-7-3-4-8-13(12)17(18)20/h1,3-4,7-8,14,16H,5-6,9-11H2 |
| InChIKey |
OYVWFIPRXFGAOS-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201504772 |
| Molecular Weight |
267.328 g/mol |
| Reported Formula |
C17H17NO2 |
| SMILES |
C(#C)CN1C(C2C(=O)CCCC2)C=2C=CC=CC2C1=O |
| SPLASH |
splash10-0006-0190000000-9dc2d4b4ecaecd1f574d |
| Sample Comments |
Mixture of two diastereoisomers(d1/d2) = (61:39) |
| Source of Spectrum |
QE-22-SM9-4ca (DOI: 10.1002/chem.201504772) |
| Thin-Layer Chromatography |
0.18 (cyclohexane/EtOAc, 70:30) |
| Wiley ID |
1903113 |
