| SpectraBase Compound ID | 2RPMr76Jax2 |
|---|---|
| InChI | InChI=1S/C19H14O2/c1-21-17(20)11-15-8-7-14-6-5-12-3-2-4-13-9-10-16(15)19(14)18(12)13/h2-10H,11H2,1H3 |
| InChIKey | JDHRXAJJMGKXEI-UHFFFAOYSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C19H14O2 |
| Exact Mass | 274.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNG7LNmhNNP |
|---|---|
| Name | Methyl 1-pyreneethanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.099379689 u |
| Formula | C19H14O2 |
| InChI | InChI=1S/C19H14O2/c1-21-17(20)11-15-8-7-14-6-5-12-3-2-4-13-9-10-16(15)19(14)18(12)13/h2-10H,11H2,1H3 |
| InChIKey | JDHRXAJJMGKXEI-UHFFFAOYSA-N |
| Molecular Weight | 274.319 g/mol |
| SMILES | C1=CC2=C3C(=C1)C=CC=1C3=C(C=C2)C=CC1CC(=O)OC |