| SpectraBase Compound ID | 36jQQOugsU5 |
|---|---|
| InChI | InChI=1S/C19H17NO3/c1-3-23-19(21)16-12-18(13-7-5-4-6-8-13)20-17-10-9-14(22-2)11-15(16)17/h4-12H,3H2,1-2H3 |
| InChIKey | KVQSBNFCXUBTDR-UHFFFAOYSA-N |
| Mol Weight | 307.35 g/mol |
| Molecular Formula | C19H17NO3 |
| Exact Mass | 307.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LL9UE2xJU7q |
|---|---|
| Name | 6-Methoxy-2-phenylcinchoninic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.120843408 u |
| Formula | C19H17NO3 |
| InChI | InChI=1S/C19H17NO3/c1-3-23-19(21)16-12-18(13-7-5-4-6-8-13)20-17-10-9-14(22-2)11-15(16)17/h4-12H,3H2,1-2H3 |
| InChIKey | KVQSBNFCXUBTDR-UHFFFAOYSA-N |
| Molecular Weight | 307.349 g/mol |
| SMILES | C=12C=C(C=CC1N=C(C=C2C(OCC)=O)C=1C=CC=CC1)OC |