| SpectraBase Compound ID | CXBPUYXUOV9 |
|---|---|
| InChI | InChI=1S/C12H13NO2/c1-7-5-4-6-9-8(2)11(12(14)15-3)13-10(7)9/h4-6,13H,1-3H3 |
| InChIKey | RAGWOSNMOATCDR-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C12H13NO2 |
| Exact Mass | 203.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3MPONkeI3R4 |
|---|---|
| Name | 3,7-Dimethyl-1H-indole-2-carboxylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.094628661 u |
| Formula | C12H13NO2 |
| InChI | InChI=1S/C12H13NO2/c1-7-5-4-6-9-8(2)11(12(14)15-3)13-10(7)9/h4-6,13H,1-3H3 |
| InChIKey | RAGWOSNMOATCDR-UHFFFAOYSA-N |
| Molecular Weight | 203.241 g/mol |
| SMILES | C=1(NC=2C(=CC=CC2C1C)C)C(=O)OC |