| SpectraBase Compound ID | DeYgPmQV3qD |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-4-15-11(13)6-5-7-12(14)16-9-8-10(2)3/h8H,4-7,9H2,1-3H3 |
| InChIKey | BYLBJXDKXMMJOF-UHFFFAOYSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3WTlz6qMpkJ |
|---|---|
| Name | Glutaric acid, ethyl 3-methylbut-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.136159120 u |
| Formula | C12H20O4 |
| InChI | InChI=1S/C12H20O4/c1-4-15-11(13)6-5-7-12(14)16-9-8-10(2)3/h8H,4-7,9H2,1-3H3 |
| InChIKey | BYLBJXDKXMMJOF-UHFFFAOYSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | CC(C)=CCOC(CCCC(OCC)=O)=O |