| SpectraBase Compound ID | 1gChM79qGwc |
|---|---|
| InChI | InChI=1S/C14H22O4/c1-5-12(4)18-14(16)8-6-7-13(15)17-10-9-11(2)3/h5,9,12H,1,6-8,10H2,2-4H3 |
| InChIKey | PWODKIGQXUCRBJ-UHFFFAOYSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C14H22O4 |
| Exact Mass | 254.151809 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 | 7sxoP94QYo0 |
|---|---|
| Name | Glutaric acid, but-3-en-2-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 | 254.151809184 u |
| Formula | C14H22O4 |
| InChI | InChI=1S/C14H22O4/c1-5-12(4)18-14(16)8-6-7-13(15)17-10-9-11(2)3/h5,9,12H,1,6-8,10H2,2-4H3 |
| InChIKey | PWODKIGQXUCRBJ-UHFFFAOYSA-N |
| Molecular Weight | 254.326 g/mol |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OC(C)C=C)=O |