![N-[2-(5-Nitro-1H-indol-3-yl)ethyl]acetamide, N-acetyl](/api/spectrum/61NhCAnDPuz/structure.png?h=300&w=458 "N-[2-(5-Nitro-1H-indol-3-yl)ethyl]acetamide, N-acetyl")
| SpectraBase Compound ID | KlQXy05bUNT |
|---|---|
| InChI | InChI=1S/C14H15N3O4/c1-9(18)16(10(2)19)6-5-11-8-15-14-4-3-12(17(20)21)7-13(11)14/h3-4,7-8,15H,5-6H2,1-2H3 |
| InChIKey | ZRKFLQOOQRQRIG-UHFFFAOYSA-N |
| Mol Weight | 289.29 g/mol |
| Molecular Formula | C14H15N3O4 |
| Exact Mass | 289.106256 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 61NhCAnDPuz |
|---|---|
| Name | N-[2-(5-Nitro-1H-indol-3-yl)ethyl]acetamide, N-acetyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.106255971 u |
| Formula | C14H15N3O4 |
| InChI | InChI=1S/C14H15N3O4/c1-9(18)16(10(2)19)6-5-11-8-15-14-4-3-12(17(20)21)7-13(11)14/h3-4,7-8,15H,5-6H2,1-2H3 |
| InChIKey | ZRKFLQOOQRQRIG-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC2=C(NC=C2CCN(C(=O)C)C(C)=O)C=C1 |