| SpectraBase Compound ID | K708YuQ3YKa |
|---|---|
| InChI | InChI=1S/C12H13NO3/c1-15-9-3-4-10-8(5-12(14)16-2)7-13-11(10)6-9/h3-4,6-7,13H,5H2,1-2H3 |
| InChIKey | KKNFZZBGRBWCJZ-UHFFFAOYSA-N |
| Mol Weight | 219.24 g/mol |
| Molecular Formula | C12H13NO3 |
| Exact Mass | 219.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7m8HUHCIeRc |
|---|---|
| Name | 6-Methoxy-1H-indole-3-acetic acid,methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.089543280 u |
| Formula | C12H13NO3 |
| InChI | InChI=1S/C12H13NO3/c1-15-9-3-4-10-8(5-12(14)16-2)7-13-11(10)6-9/h3-4,6-7,13H,5H2,1-2H3 |
| InChIKey | KKNFZZBGRBWCJZ-UHFFFAOYSA-N |
| Molecular Weight | 219.240 g/mol |
| SMILES | C=1(C2=C(C=C(C=C2)OC)NC1)CC(=O)OC |