| SpectraBase Compound ID | B2zjAe5dsR0 |
|---|---|
| InChI | InChI=1S/C16H24O4/c1-5-8-14(6-2)20-16(18)10-7-9-15(17)19-12-11-13(3)4/h5-6,11,14H,1-2,7-10,12H2,3-4H3 |
| InChIKey | JSUQWQBCOJDIJD-UHFFFAOYSA-N |
| Mol Weight | 280.36 g/mol |
| Molecular Formula | C16H24O4 |
| Exact Mass | 280.167459 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 | 2bVooAJqMro |
|---|---|
| Name | Glutaric acid, hexa-1,5-dien-3-yl 3-methylbut-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.167459249 u |
| Formula | C16H24O4 |
| InChI | InChI=1S/C16H24O4/c1-5-8-14(6-2)20-16(18)10-7-9-15(17)19-12-11-13(3)4/h5-6,11,14H,1-2,7-10,12H2,3-4H3 |
| InChIKey | JSUQWQBCOJDIJD-UHFFFAOYSA-N |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OC(C=C)CC=C)=O |