![N-[2-(2-Methyl-5-nitro-1H-indol-3-yl)ethyl]acetamide](/api/spectrum/2uOa4PdIzjb/structure.png?h=300&w=458 "N-[2-(2-Methyl-5-nitro-1H-indol-3-yl)ethyl]acetamide")
| SpectraBase Compound ID | 9f4kYWDRYR2 |
|---|---|
| InChI | InChI=1S/C13H15N3O3/c1-8-11(5-6-14-9(2)17)12-7-10(16(18)19)3-4-13(12)15-8/h3-4,7,15H,5-6H2,1-2H3,(H,14,17) |
| InChIKey | ZQIMGSKWFKNJRY-UHFFFAOYSA-N |
| Mol Weight | 261.28 g/mol |
| Molecular Formula | C13H15N3O3 |
| Exact Mass | 261.111341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2uOa4PdIzjb |
|---|---|
| Name | N-[2-(2-Methyl-5-nitro-1H-indol-3-yl)ethyl]acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.111341352 u |
| Formula | C13H15N3O3 |
| InChI | InChI=1S/C13H15N3O3/c1-8-11(5-6-14-9(2)17)12-7-10(16(18)19)3-4-13(12)15-8/h3-4,7,15H,5-6H2,1-2H3,(H,14,17) |
| InChIKey | ZQIMGSKWFKNJRY-UHFFFAOYSA-N |
| Molecular Weight | 261.281 g/mol |
| SMILES | C1=C(C=C2C(=C1)NC(=C2CCNC(C)=O)C)N(=O)=O |