| SpectraBase Compound ID | I93tWBwXEgl |
|---|---|
| InChI | InChI=1S/C19H36O5/c1-3-4-5-6-9-12-15-18-22-19(24-23-18)16-13-10-7-8-11-14-17(20)21-2/h18-19H,3-16H2,1-2H3 |
| InChIKey | ZWLPKVFUKKKNGN-UHFFFAOYSA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C19H36O5 |
| Exact Mass | 344.256274 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 | 5JNGSyrlNvH |
|---|---|
| Name | 1,2,4-Trioxolane-2-octanoic acid, 5-octyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.256274254 u |
| Formula | C19H36O5 |
| InChI | InChI=1S/C19H36O5/c1-3-4-5-6-9-12-15-18-22-19(24-23-18)16-13-10-7-8-11-14-17(20)21-2/h18-19H,3-16H2,1-2H3 |
| InChIKey | ZWLPKVFUKKKNGN-UHFFFAOYSA-N |
| Molecular Weight | 344.492 g/mol |
| SMILES | C(CC1OC(CCCCCCCC)OO1)CCCCCC(OC)=O |