| SpectraBase Compound ID | 3kuAVLpnMs8 |
|---|---|
| InChI | InChI=1S/C19H14O3/c1-22-19(21)11-10-18(20)17-12-13-6-2-3-7-14(13)15-8-4-5-9-16(15)17/h2-12H,1H3/b11-10+ |
| InChIKey | HGKYFTSKOOBXBU-ZHACJKMWSA-N |
| Mol Weight | 290.32 g/mol |
| Molecular Formula | C19H14O3 |
| Exact Mass | 290.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Avh2oMhly0M |
|---|---|
| Name | 2-Butenoic acid, 4-oxo-4-(9-phenanthrenyl)-, methyl ester, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.094294308 u |
| Formula | C19H14O3 |
| InChI | InChI=1S/C19H14O3/c1-22-19(21)11-10-18(20)17-12-13-6-2-3-7-14(13)15-8-4-5-9-16(15)17/h2-12H,1H3/b11-10+ |
| InChIKey | HGKYFTSKOOBXBU-ZHACJKMWSA-N |
| SMILES | C=1(C=2C(=CC=CC2)C=2C(C1)=CC=CC2)C(\C=C\C(=O)OC)=O |