| SpectraBase Compound ID | 4CMVEOcgO4w |
|---|---|
| InChI | InChI=1S/C14H17NO3/c1-4-15-9(3)13(14(17)18-5-2)11-8-10(16)6-7-12(11)15/h6-8,16H,4-5H2,1-3H3 |
| InChIKey | FXMYTLXTYCIQED-UHFFFAOYSA-N |
| Mol Weight | 247.29 g/mol |
| Molecular Formula | C14H17NO3 |
| Exact Mass | 247.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IXsHvHEKOrz |
|---|---|
| Name | Indole-3-carboxylic acid, 1-ethyl-5-hydroxy-2-methyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.120843408 u |
| Formula | C14H17NO3 |
| InChI | InChI=1S/C14H17NO3/c1-4-15-9(3)13(14(17)18-5-2)11-8-10(16)6-7-12(11)15/h6-8,16H,4-5H2,1-3H3 |
| InChIKey | FXMYTLXTYCIQED-UHFFFAOYSA-N |
| Molecular Weight | 247.294 g/mol |
| SMILES | C1(=C(N(CC)C2=C1C=C(O)C=C2)C)C(=O)OCC |