| SpectraBase Compound ID | I6oKYSGlBEa |
|---|---|
| InChI | InChI=1S/C16H22O5/c1-3-4-7-10-20-15(17)11-19-12-16(18)21-14-9-6-5-8-13(14)2/h5-6,8-9H,3-4,7,10-12H2,1-2H3 |
| InChIKey | UVKOGUXUOLGGHO-UHFFFAOYSA-N |
| Mol Weight | 294.35 g/mol |
| Molecular Formula | C16H22O5 |
| Exact Mass | 294.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2it44oPXm2a |
|---|---|
| Name | Diglycolic acid, 2-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/c1-3-4-7-10-20-15(17)11-19-12-16(18)21-14-9-6-5-8-13(14)2/h5-6,8-9H,3-4,7,10-12H2,1-2H3 |
| InChIKey | UVKOGUXUOLGGHO-UHFFFAOYSA-N |
| Molecular Weight | 294.347 g/mol |
| SMILES | C(COCC(=O)OCCCCC)(=O)OC1=C(C=CC=C1)C |