| SpectraBase Compound ID | IbuFuNPzaPn |
|---|---|
| InChI | InChI=1S/C13H20O6/c1-3-5-8-17-12(15)7-10-19-13(16)6-9-18-11(14)4-2/h4H,2-3,5-10H2,1H3 |
| InChIKey | JVWNQKWTAFOTPC-UHFFFAOYSA-N |
| Mol Weight | 272.3 g/mol |
| Molecular Formula | C13H20O6 |
| Exact Mass | 272.125988 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 | 8qV6TKBgzUA |
|---|---|
| Name | 3,7,11-Trioxo-4,8,12-trioxa-1-hexadecene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.125988358 u |
| Formula | C13H20O6 |
| InChI | InChI=1S/C13H20O6/c1-3-5-8-17-12(15)7-10-19-13(16)6-9-18-11(14)4-2/h4H,2-3,5-10H2,1H3 |
| InChIKey | JVWNQKWTAFOTPC-UHFFFAOYSA-N |
| Molecular Weight | 272.297 g/mol |
| SMILES | C=CC(OCCC(OCCC(OCCCC)=O)=O)=O |