| SpectraBase Compound ID | LBR2sQAUIqb |
|---|---|
| InChI | InChI=1S/C14H15NO4/c1-4-19-14(17)12-8(2)10-7-9(13(16)18-3)5-6-11(10)15-12/h5-7,15H,4H2,1-3H3 |
| InChIKey | GOIVPBQODBSHMB-UHFFFAOYSA-N |
| Mol Weight | 261.28 g/mol |
| Molecular Formula | C14H15NO4 |
| Exact Mass | 261.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BLc2laUviG2 |
|---|---|
| Name | 2-Ethyl 5-methyl 3-methyl-1H-indole-2,5-dicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.100107963 u |
| Formula | C14H15NO4 |
| InChI | InChI=1S/C14H15NO4/c1-4-19-14(17)12-8(2)10-7-9(13(16)18-3)5-6-11(10)15-12/h5-7,15H,4H2,1-3H3 |
| InChIKey | GOIVPBQODBSHMB-UHFFFAOYSA-N |
| SMILES | C=1(NC=2C=CC(=CC2C1C)C(=O)OC)C(=O)OCC |