| SpectraBase Spectrum ID |
Iq8X03qOCR9 |
| Name |
5-[E-1-Nitropropen-2-yl]-2,3-dimethylindole |
| Alternate Name(s) |
2,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]-1H-indole
5-(e-2-nitropropenyl)-2,3-dimethylindole |
| CAS Registry Number |
70447-60-8 |
| Comments |
Removed - expert review: solvent contamination (chloroform)); A corrected record has been addded having SpectrumID: 1718209 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14N2O2 |
| InChI |
InChI=1S/C13H14N2O2/c1-8(15(16)17)6-11-4-5-13-12(7-11)9(2)10(3)14-13/h4-7,14H,1-3H3/b8-6+ |
| InChIKey |
XAPQEMAYUFLVPZ-SOFGYWHQSA-N |
| Molecular Weight |
230.267 g/mol |
| SMILES |
[nH]1c(c(c2cc(ccc12)\C=C/(N(=O)=O)C)C)C |
| SPLASH |
splash10-001j-9310000000-5f896bfcfd85dc570fd5 |
| Source of Spectrum |
SS-3-66-0 |
| Wiley ID |
1231796 |
![5-[E-1-Nitropropen-2-yl]-2,3-dimethylindole](/api/spectrum/Iq8X03qOCR9/structure.png?h=300&w=458 "5-[E-1-Nitropropen-2-yl]-2,3-dimethylindole")
