| SpectraBase Compound ID | BWikZ3Zz349 |
|---|---|
| InChI | InChI=1S/C11H18O4/c1-3-5-9-15-11(13)8-6-7-10(12)14-4-2/h3,5H,4,6-9H2,1-2H3/b5-3+ |
| InChIKey | IJTAMUYXLKCMNB-HWKANZROSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C11H18O4 |
| Exact Mass | 214.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5bSTN5oENik |
|---|---|
| Name | Glutaric acid, but-2-en-1-yl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.120509056 u |
| Formula | C11H18O4 |
| InChI | InChI=1S/C11H18O4/c1-3-5-9-15-11(13)8-6-7-10(12)14-4-2/h3,5H,4,6-9H2,1-2H3/b5-3+ |
| InChIKey | IJTAMUYXLKCMNB-HWKANZROSA-N |
| Molecular Weight | 214.261 g/mol |
| SMILES | C(CCC(OCC)=O)C(OC\C=C\C)=O |