| SpectraBase Compound ID | 4Psjp0Kx08m |
|---|---|
| InChI | InChI=1S/C20H16O2/c1-13(21)22-12-11-14-5-6-17-8-7-15-3-2-4-16-9-10-18(14)20(17)19(15)16/h2-10H,11-12H2,1H3 |
| InChIKey | NMWSZPVBBZYVPL-UHFFFAOYSA-N |
| Mol Weight | 288.35 g/mol |
| Molecular Formula | C20H16O2 |
| Exact Mass | 288.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ICEkEKHhVXf |
|---|---|
| Name | 2-Pyren-1-ylethyl ethanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.115029753 u |
| Formula | C20H16O2 |
| InChI | InChI=1S/C20H16O2/c1-13(21)22-12-11-14-5-6-17-8-7-15-3-2-4-16-9-10-18(14)20(17)19(15)16/h2-10H,11-12H2,1H3 |
| InChIKey | NMWSZPVBBZYVPL-UHFFFAOYSA-N |
| SMILES | C(C)(=O)OCCC=1C=CC2=CC=C3C=CC=C4C=CC1C2=C34 |