| SpectraBase Compound ID | 2xnSTRk3mPC |
|---|---|
| InChI | InChI=1S/C16H16O5/c1-2-20-15(17)10-19-11-16(18)21-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,2,10-11H2,1H3 |
| InChIKey | PDKPYOMMXCQONF-UHFFFAOYSA-N |
| Mol Weight | 288.3 g/mol |
| Molecular Formula | C16H16O5 |
| Exact Mass | 288.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JVAlt7KZYyl |
|---|---|
| Name | Diglycolic acid, ethyl 2-naphthyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.099773610 u |
| Formula | C16H16O5 |
| InChI | InChI=1S/C16H16O5/c1-2-20-15(17)10-19-11-16(18)21-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,2,10-11H2,1H3 |
| InChIKey | PDKPYOMMXCQONF-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OCC)(=O)OC1=CC2=C(C=C1)C=CC=C2 |