| SpectraBase Compound ID | HxttaUFEBwQ |
|---|---|
| InChI | InChI=1S/C16H22O5/c1-2-10-20-15(17)12-19-13-16(18)21-11-6-9-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3 |
| InChIKey | BTHGVXMPAVDFEP-UHFFFAOYSA-N |
| Mol Weight | 294.35 g/mol |
| Molecular Formula | C16H22O5 |
| Exact Mass | 294.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ydMdV4bp1U |
|---|---|
| Name | Diglycolic acid, 3-phenylpropyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.146723803 u |
| Formula | C16H22O5 |
| InChI | InChI=1S/C16H22O5/c1-2-10-20-15(17)12-19-13-16(18)21-11-6-9-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3 |
| InChIKey | BTHGVXMPAVDFEP-UHFFFAOYSA-N |
| Molecular Weight | 294.347 g/mol |
| SMILES | C(COCC(=O)OCCC)(=O)OCCCC1=CC=CC=C1 |