| SpectraBase Compound ID | 7eTt2f5YYUT |
|---|---|
| InChI | InChI=1S/C12H11NO2/c1-2-5-9-8-6-3-4-7-10(8)13-11(9)12(14)15/h2-4,6-7,13H,1,5H2,(H,14,15) |
| InChIKey | MFWJRIIPEPIWOE-UHFFFAOYSA-N |
| Mol Weight | 201.22 g/mol |
| Molecular Formula | C12H11NO2 |
| Exact Mass | 201.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7xu1JjqJZpk |
|---|---|
| Name | 3-Allyl-2-indolecarboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.078978596 u |
| Formula | C12H11NO2 |
| InChI | InChI=1S/C12H11NO2/c1-2-5-9-8-6-3-4-7-10(8)13-11(9)12(14)15/h2-4,6-7,13H,1,5H2,(H,14,15) |
| InChIKey | MFWJRIIPEPIWOE-UHFFFAOYSA-N |
| Molecular Weight | 201.225 g/mol |
| SMILES | C12=C(C=CC=C2)NC(=C1CC=C)C(=O)O |