| SpectraBase Compound ID | CbsZi0tNdlB |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-10(2)8-9-16-12(14)6-5-7-13(15)17-11(3)4/h8,11H,5-7,9H2,1-4H3 |
| InChIKey | PMRZJYITKIZRAP-UHFFFAOYSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5fYrVeuAzpG |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-en-1-yl isopropyl 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/c1-10(2)8-9-16-12(14)6-5-7-13(15)17-11(3)4/h8,11H,5-7,9H2,1-4H3 |
| InChIKey | PMRZJYITKIZRAP-UHFFFAOYSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OC(C)C)=O |