![4-[2-(Indol-3-yl)ethyl]-3-thioallophanic acid, ethyl ester](/api/spectrum/LEyjL1MCMPH/structure.png?h=300&w=458 "4-[2-(Indol-3-yl)ethyl]-3-thioallophanic acid, ethyl ester")
| SpectraBase Compound ID | GKSMMEDGepV |
|---|---|
| InChI | InChI=1S/C14H17N3O2S/c1-2-19-14(18)17-13(20)15-8-7-10-9-16-12-6-4-3-5-11(10)12/h3-6,9,16H,2,7-8H2,1H3,(H2,15,17,18,20) |
| InChIKey | DFEIHVJJGNYTHR-UHFFFAOYSA-N |
| Mol Weight | 291.37 g/mol |
| Molecular Formula | C14H17N3O2S |
| Exact Mass | 291.104148 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LEyjL1MCMPH |
|---|---|
| Name | 4-[2-(Indol-3-yl)ethyl]-3-thioallophanic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.104147971 u |
| Formula | C14H17N3O2S |
| InChI | InChI=1S/C14H17N3O2S/c1-2-19-14(18)17-13(20)15-8-7-10-9-16-12-6-4-3-5-11(10)12/h3-6,9,16H,2,7-8H2,1H3,(H2,15,17,18,20) |
| InChIKey | DFEIHVJJGNYTHR-UHFFFAOYSA-N |
| SMILES | N(C(OCC)=O)C(NCCC=1C=2C=CC=CC2NC1)=S |