| SpectraBase Compound ID | Fd8FMesPnM4 |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-3-5-6-10-16-12(14)9-7-8-11(13)15-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5+ |
| InChIKey | CPSHKWKXPJRLKT-AATRIKPKSA-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 | LVRICb0S9HN |
|---|---|
| Name | Glutaric acid, ethyl pent-2-en-1-yl 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/c1-3-5-6-10-16-12(14)9-7-8-11(13)15-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5+ |
| InChIKey | CPSHKWKXPJRLKT-AATRIKPKSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | C(CCC(OCC)=O)C(OC\C=C\CC)=O |