| SpectraBase Compound ID | IaK3j4gWfC1 |
|---|---|
| InChI | InChI=1S/C15H26O4/c1-4-6-12-18-14(16)10-7-8-11-15(17)19-13(3)9-5-2/h5,13H,2,4,6-12H2,1,3H3 |
| InChIKey | FORLKMRJCQLQRG-UHFFFAOYSA-N |
| Mol Weight | 270.37 g/mol |
| Molecular Formula | C15H26O4 |
| Exact Mass | 270.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2UqrY8dURuC |
|---|---|
| Name | Adipic acid, butyl pent-4-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.183109313 u |
| Formula | C15H26O4 |
| InChI | InChI=1S/C15H26O4/c1-4-6-12-18-14(16)10-7-8-11-15(17)19-13(3)9-5-2/h5,13H,2,4,6-12H2,1,3H3 |
| InChIKey | FORLKMRJCQLQRG-UHFFFAOYSA-N |
| Molecular Weight | 270.369 g/mol |
| SMILES | C(CCC(OC(C)CC=C)=O)CC(OCCCC)=O |