| SpectraBase Compound ID | BNGZOmRadO5 |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-2-3-4-8-13-23-18(20)15-22-16-19(21)24-14-9-12-17-10-6-5-7-11-17/h5-7,10-11H,2-4,8-9,12-16H2,1H3 |
| InChIKey | YBHKCMJGRHGVQK-UHFFFAOYSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C19H28O5 |
| Exact Mass | 336.193674 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 | L7gx8eO6vT9 |
|---|---|
| Name | Diglycolic acid, hexyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.193673997 u |
| Formula | C19H28O5 |
| InChI | InChI=1S/C19H28O5/c1-2-3-4-8-13-23-18(20)15-22-16-19(21)24-14-9-12-17-10-6-5-7-11-17/h5-7,10-11H,2-4,8-9,12-16H2,1H3 |
| InChIKey | YBHKCMJGRHGVQK-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | C(COCC(=O)OCCCCCC)(=O)OCCCC1=CC=CC=C1 |