| SpectraBase Compound ID | 71WUQmDabQV |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-4-8-11(3)17-13(15)10-7-6-9-12(14)16-5-2/h4,11H,1,5-10H2,2-3H3 |
| InChIKey | DKCALIPCOLFPSF-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 | 7AOUgFmOuaB |
|---|---|
| Name | Adipic acid, ethyl pent-4-en-2-yl 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/c1-4-8-11(3)17-13(15)10-7-6-9-12(14)16-5-2/h4,11H,1,5-10H2,2-3H3 |
| InChIKey | DKCALIPCOLFPSF-UHFFFAOYSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C(CCC(OC(C)CC=C)=O)CC(OCC)=O |