| SpectraBase Compound ID | 8D5ofPWNSEr |
|---|---|
| InChI | InChI=1S/C18H34O5/c1-4-5-6-7-8-9-12-22-17(19)14-21-15-18(20)23-13-10-11-16(2)3/h16H,4-15H2,1-3H3 |
| InChIKey | LORPJZRBSIYJJP-UHFFFAOYSA-N |
| Mol Weight | 330.5 g/mol |
| Molecular Formula | C18H34O5 |
| Exact Mass | 330.240624 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 | 6gJslhfFrcJ |
|---|---|
| Name | Diglycolic acid, isohexyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.240624190 u |
| Formula | C18H34O5 |
| InChI | InChI=1S/C18H34O5/c1-4-5-6-7-8-9-12-22-17(19)14-21-15-18(20)23-13-10-11-16(2)3/h16H,4-15H2,1-3H3 |
| InChIKey | LORPJZRBSIYJJP-UHFFFAOYSA-N |
| Molecular Weight | 330.465 g/mol |
| SMILES | C(COCC(=O)OCCCC(C)C)(=O)OCCCCCCCC |