| SpectraBase Compound ID | LFA6qZcuLf8 |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-4-5-8-11-22-17(19)12-21-13-18(20)23-16-10-7-6-9-15(16)14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3 |
| InChIKey | QREZTYLBQIDPGF-UHFFFAOYSA-N |
| Mol Weight | 322.4 g/mol |
| Molecular Formula | C18H26O5 |
| Exact Mass | 322.178024 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 | HlSB54TttBx |
|---|---|
| Name | Diglycolic acid, 2-isopropylphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.178023932 u |
| Formula | C18H26O5 |
| InChI | InChI=1S/C18H26O5/c1-4-5-8-11-22-17(19)12-21-13-18(20)23-16-10-7-6-9-15(16)14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3 |
| InChIKey | QREZTYLBQIDPGF-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C(COCC(=O)OCCCCC)(=O)OC1=C(C(C)C)C=CC=C1 |