| SpectraBase Compound ID | BaS06tB7f27 |
|---|---|
| InChI | InChI=1S/C14H22O4/c1-4-5-10-17-13(15)7-6-8-14(16)18-11-9-12(2)3/h4-5,9H,6-8,10-11H2,1-3H3/b5-4+ |
| InChIKey | GUIKDOVUWAAMHC-SNAWJCMRSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C14H22O4 |
| Exact Mass | 254.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jmfj5GhZ3vY |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-en-1-yl but-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/c1-4-5-10-17-13(15)7-6-8-14(16)18-11-9-12(2)3/h4-5,9H,6-8,10-11H2,1-3H3/b5-4+ |
| InChIKey | GUIKDOVUWAAMHC-SNAWJCMRSA-N |
| Molecular Weight | 254.326 g/mol |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OC\C=C\C)=O |