| SpectraBase Compound ID | 6CT5iuDNEdi |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-4-9-16-12(14)6-5-7-13(15)17-10-8-11(2)3/h8H,4-7,9-10H2,1-3H3 |
| InChIKey | UFKHZILZARZQJF-UHFFFAOYSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 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 | 2YufCqQknar |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-enyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.151809184 u |
| Formula | C13H22O4 |
| InChI | InChI=1S/C13H22O4/c1-4-9-16-12(14)6-5-7-13(15)17-10-8-11(2)3/h8H,4-7,9-10H2,1-3H3 |
| InChIKey | UFKHZILZARZQJF-UHFFFAOYSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | CC(=CCOC(CCCC(OCCC)=O)=O)C |