![9H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-ethyl-, methyl ester](/api/spectrum/2G9ct6TTj3S/structure.png?h=300&w=458 "9H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-ethyl-, methyl ester")
| SpectraBase Compound ID | 7SLLeJqfdMU |
|---|---|
| InChI | InChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3 |
| InChIKey | VPBWRTLHSGJYAL-UHFFFAOYSA-N |
| Mol Weight | 254.29 g/mol |
| Molecular Formula | C15H14N2O2 |
| Exact Mass | 254.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2G9ct6TTj3S |
|---|---|
| Name | 9H-Pyrido[3,4-B]indole-3-carboxylic acid, 1-ethyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.105527697 u |
| Formula | C15H14N2O2 |
| InChI | InChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3 |
| InChIKey | VPBWRTLHSGJYAL-UHFFFAOYSA-N |
| Molecular Weight | 254.289 g/mol |
| SMILES | C12=C(NC3=C2C=CC=C3)C(CC)=NC(=C1)C(=O)OC |