| SpectraBase Compound ID | KD6YPGrdpOU |
|---|---|
| InChI | InChI=1S/C14H24O5/c1-4-5-10-18-13(16)8-6-7-9-14(17)19-12(3)11(2)15/h12H,4-10H2,1-3H3 |
| InChIKey | VSRDRFACHKTMJU-UHFFFAOYSA-N |
| Mol Weight | 272.34 g/mol |
| Molecular Formula | C14H24O5 |
| Exact Mass | 272.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51O0TLt7vXs |
|---|---|
| Name | Adipic acid, butyl 3-oxobut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.162373868 u |
| Formula | C14H24O5 |
| InChI | InChI=1S/C14H24O5/c1-4-5-10-18-13(16)8-6-7-9-14(17)19-12(3)11(2)15/h12H,4-10H2,1-3H3 |
| InChIKey | VSRDRFACHKTMJU-UHFFFAOYSA-N |
| Molecular Weight | 272.341 g/mol |
| SMILES | C(CCCC(=O)OC(C(C)=O)C)C(OCCCC)=O |