| SpectraBase Spectrum ID |
48REX1VZZ2 |
| Name |
3-(4-Cyanophenyl)-1,1-dimethyl-1H-isoindole 2-Oxide |
| Appearance |
White crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.110613078 u |
| Formula |
C17H14N2O |
| InChI |
InChI=1S/C17H14N2O/c1-17(2)15-6-4-3-5-14(15)16(19(17)20)13-9-7-12(11-18)8-10-13/h3-10H,1-2H3 |
| InChIKey |
HOAHIIJKOTXSLC-UHFFFAOYSA-N |
| Instrument Name |
Waters AutoSpec Premier |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.2c02797 |
| Molecular Weight |
262.312 g/mol |
| Quality |
191 |
| Reported Formula |
C17H14N2O |
| SMILES |
C1=CC=CC2=C1C([N+](=C2C=1C=CC(=CC1)C#N)[O-])(C)C |
| SPLASH |
splash10-01ot-0090000000-2d326fcfbd2cfe8f1005 |
| Source of Spectrum |
JOC-88-2389-2k (DOI: 10.1021/acs.joc.2c02797) |
| Thin-Layer Chromatography |
0.51 (Hexane/EtOAc, 1:1) |
| Wiley ID |
1912637 |
