| SpectraBase Compound ID | F6GLTdy9QlX |
|---|---|
| InChI | InChI=1S/C14H15NO3/c1-10(16)15-9-11(7-8-14(17)18-2)12-5-3-4-6-13(12)15/h3-6,9H,7-8H2,1-2H3 |
| InChIKey | IKLWBNBCMBOVSR-UHFFFAOYSA-N |
| Mol Weight | 245.28 g/mol |
| Molecular Formula | C14H15NO3 |
| Exact Mass | 245.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CrTHNoHS4St |
|---|---|
| Name | 1H-Indole-3-propanoic acid, 1-acetyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.105193344 u |
| Formula | C14H15NO3 |
| InChI | InChI=1S/C14H15NO3/c1-10(16)15-9-11(7-8-14(17)18-2)12-5-3-4-6-13(12)15/h3-6,9H,7-8H2,1-2H3 |
| InChIKey | IKLWBNBCMBOVSR-UHFFFAOYSA-N |
| Molecular Weight | 245.278 g/mol |
| SMILES | CC(=O)N1C2=C(C=CC=C2)C(=C1)CCC(OC)=O |