| SpectraBase Compound ID | 6DjVB4fa9fH |
|---|---|
| InChI | InChI=1S/C17H15NO2/c1-18-14-11-7-6-10-13(14)15(16(18)17(19)20-2)12-8-4-3-5-9-12/h3-11H,1-2H3 |
| InChIKey | XNSDPJAEVJTXIH-UHFFFAOYSA-N |
| Mol Weight | 265.31 g/mol |
| Molecular Formula | C17H15NO2 |
| Exact Mass | 265.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HIcIkPNEYWd |
|---|---|
| Name | 1H-Indole-2-carboxylic acid, 1-methyl-3-phenyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.110278725 u |
| Formula | C17H15NO2 |
| InChI | InChI=1S/C17H15NO2/c1-18-14-11-7-6-10-13(14)15(16(18)17(19)20-2)12-8-4-3-5-9-12/h3-11H,1-2H3 |
| InChIKey | XNSDPJAEVJTXIH-UHFFFAOYSA-N |
| Molecular Weight | 265.312 g/mol |
| SMILES | C1=2N(C(=C(C2C=CC=C1)C1=CC=CC=C1)C(=O)OC)C |