| SpectraBase Compound ID | 1NdGm0VPDWf |
|---|---|
| InChI | InChI=1S/C16H22O5/c1-3-4-5-9-20-15(17)11-19-12-16(18)21-14-8-6-7-13(2)10-14/h6-8,10H,3-5,9,11-12H2,1-2H3 |
| InChIKey | GIWCYMIPISQFSG-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 | 2vUGSgLcOf5 |
|---|---|
| Name | Diglycolic acid, 3-methylphenyl pentyl 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/c1-3-4-5-9-20-15(17)11-19-12-16(18)21-14-8-6-7-13(2)10-14/h6-8,10H,3-5,9,11-12H2,1-2H3 |
| InChIKey | GIWCYMIPISQFSG-UHFFFAOYSA-N |
| Molecular Weight | 294.347 g/mol |
| SMILES | C(COCC(=O)OCCCCC)(=O)OC1=CC(=CC=C1)C |