| SpectraBase Compound ID | 6nYXtX3QPaP |
|---|---|
| InChI | InChI=1S/C14H24O4/c1-11(2)8-9-17-13(15)6-5-7-14(16)18-10-12(3)4/h8,12H,5-7,9-10H2,1-4H3 |
| InChIKey | KHHMNRHJPXULGG-UHFFFAOYSA-N |
| Mol Weight | 256.34 g/mol |
| Molecular Formula | C14H24O4 |
| Exact Mass | 256.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KXN1bIYwp6j |
|---|---|
| Name | Glutaric acid, isobutyl 3-methylbut-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.167459249 u |
| Formula | C14H24O4 |
| InChI | InChI=1S/C14H24O4/c1-11(2)8-9-17-13(15)6-5-7-14(16)18-10-12(3)4/h8,12H,5-7,9-10H2,1-4H3 |
| InChIKey | KHHMNRHJPXULGG-UHFFFAOYSA-N |
| Molecular Weight | 256.342 g/mol |
| SMILES | CC(=CCOC(CCCC(OCC(C)C)=O)=O)C |