| SpectraBase Compound ID | GmXcqB17s0P |
|---|---|
| InChI | InChI=1S/C15H14N2O3/c1-20-15(19)7-6-14(18)17-9-8-11-4-2-3-5-12(11)13(17)10-16/h2-5,8-9,13H,6-7H2,1H3 |
| InChIKey | CJHMCRMCQPLBCD-UHFFFAOYSA-N |
| Mol Weight | 270.29 g/mol |
| Molecular Formula | C15H14N2O3 |
| Exact Mass | 270.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6sbKlVqjmRr |
|---|---|
| Name | 1-Cyano-gamma-oxo-2(1H)-isoquinolinebutyric acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.100442316 u |
| Formula | C15H14N2O3 |
| InChI | InChI=1S/C15H14N2O3/c1-20-15(19)7-6-14(18)17-9-8-11-4-2-3-5-12(11)13(17)10-16/h2-5,8-9,13H,6-7H2,1H3 |
| InChIKey | CJHMCRMCQPLBCD-UHFFFAOYSA-N |
| SMILES | C=12C=CC=CC1C(N(C=C2)C(CCC(OC)=O)=O)C#N |