| SpectraBase Spectrum ID |
DGT53wnVvka |
| Name |
1,1-Dimethyl-6-nitro-3-phenyl-1H-isoindole 2-Oxide |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.100442316 u |
| Formula |
C16H14N2O3 |
| InChI |
InChI=1S/C16H14N2O3/c1-16(2)14-10-12(18(20)21)8-9-13(14)15(17(16)19)11-6-4-3-5-7-11/h3-10H,1-2H3 |
| InChIKey |
GLQSCOKJEVQAPV-UHFFFAOYSA-N |
| Instrument Name |
Waters AutoSpec Premier |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.2c02797 |
| Molecular Weight |
282.299 g/mol |
| Quality |
225 |
| Reported Formula |
C16H14N2O3 |
| SMILES |
C1(=CC2=C(C=C1)C(C=1C=CC=CC1)=[N+](C2(C)C)[O-])[N+]([O-])=O |
| SPLASH |
splash10-001i-1090000000-84829c5e9e91d7c4d983 |
| Source of Spectrum |
JOC-88-2389-2j (DOI: 10.1021/acs.joc.2c02797) |
| Thin-Layer Chromatography |
0.20 (Hexane/EtOAc, 5:1) |
| Wiley ID |
1912636 |
