| SpectraBase Spectrum ID |
I4fi2sL1jEC |
| Name |
2-Methyl-2-(5-nitro-1H-indol-3-yl)propanenitrile |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H11N3O2 |
| InChI |
InChI=1S/C12H11N3O2/c1-12(2,7-13)10-6-14-11-4-3-8(15(16)17)5-9(10)11/h3-6,14H,1-2H3 |
| InChIKey |
QFUPTKCRAVXVRF-UHFFFAOYSA-N |
| Instrument Name |
SHIMADZU GCMS-QP2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.joc.1c00808 |
| Molecular Weight |
229.239 g/mol |
| Reported Formula |
C12H11N3O2 |
| SMILES |
[nH]1c2c(c(c1)C(C)(C#N)C)cc(cc2)[N+](=O)[O-] |
| SPLASH |
splash10-03di-0290000000-1ef64223e4d549655081 |
| Source of Spectrum |
JOC-86-8395-3ia |
| Wiley ID |
1867820 |
