| SpectraBase Compound ID | 9n4mLMSWlHN |
|---|---|
| InChI | InChI=1S/C21H16O2/c1-2-23-19(22)13-11-14-6-7-17-9-8-15-4-3-5-16-10-12-18(14)21(17)20(15)16/h3-13H,2H2,1H3/b13-11+ |
| InChIKey | QUTBFWCVWNSATR-ACCUITESSA-N |
| Mol Weight | 300.36 g/mol |
| Molecular Formula | C21H16O2 |
| Exact Mass | 300.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EvzwL5gE1Bu |
|---|---|
| Name | Ethyl trans-3-(1-pyrenyl)-2-propenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.115029753 u |
| Formula | C21H16O2 |
| InChI | InChI=1S/C21H16O2/c1-2-23-19(22)13-11-14-6-7-17-9-8-15-4-3-5-16-10-12-18(14)21(17)20(15)16/h3-13H,2H2,1H3/b13-11+ |
| InChIKey | QUTBFWCVWNSATR-ACCUITESSA-N |
| SMILES | C1=CC2=C3C(=C1)C=CC=1C3=C(C=C2)C(=CC1)\C=C\C(OCC)=O |