| SpectraBase Compound ID | IKq3KgLQf8b |
|---|---|
| InChI | InChI=1S/C14H17NO3/c1-4-17-10-6-7-12-11(8-10)9(3)13(15-12)14(16)18-5-2/h6-8,15H,4-5H2,1-3H3 |
| InChIKey | CHRRRAKWNZUILO-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 | IhytWjUZwhk |
|---|---|
| Name | 5-Ethoxy-3-methyl-indole-2-carboxylic acid, 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/c1-4-17-10-6-7-12-11(8-10)9(3)13(15-12)14(16)18-5-2/h6-8,15H,4-5H2,1-3H3 |
| InChIKey | CHRRRAKWNZUILO-UHFFFAOYSA-N |
| Molecular Weight | 247.294 g/mol |
| SMILES | C1=2NC(=C(C2C=C(C=C1)OCC)C)C(=O)OCC |