| SpectraBase Compound ID | HPm1OgnsNkX |
|---|---|
| InChI | InChI=1S/C17H24O5/c1-2-3-11-21-16(18)13-20-14-17(19)22-12-7-10-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14H2,1H3 |
| InChIKey | BFNSTEKXYFTKGV-UHFFFAOYSA-N |
| Mol Weight | 308.37 g/mol |
| Molecular Formula | C17H24O5 |
| Exact Mass | 308.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Qgaj8nvm2I |
|---|---|
| Name | Diglycolic acid, butyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.162373868 u |
| Formula | C17H24O5 |
| InChI | InChI=1S/C17H24O5/c1-2-3-11-21-16(18)13-20-14-17(19)22-12-7-10-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14H2,1H3 |
| InChIKey | BFNSTEKXYFTKGV-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OCCCC)(=O)OCCCC1=CC=CC=C1 |