| SpectraBase Compound ID | LaqzHA3qOO5 |
|---|---|
| InChI | InChI=1S/C16H28O5/c1-4-5-6-9-12-20-15(18)10-7-8-11-16(19)21-14(3)13(2)17/h14H,4-12H2,1-3H3 |
| InChIKey | REZVKAGCPPLRHT-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C16H28O5 |
| Exact Mass | 300.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8bvtUGNMqsg |
|---|---|
| Name | Adipic acid, hexyl 3-oxobut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.193673997 u |
| Formula | C16H28O5 |
| InChI | InChI=1S/C16H28O5/c1-4-5-6-9-12-20-15(18)10-7-8-11-16(19)21-14(3)13(2)17/h14H,4-12H2,1-3H3 |
| InChIKey | REZVKAGCPPLRHT-UHFFFAOYSA-N |
| Molecular Weight | 300.395 g/mol |
| SMILES | C(CCCC(=O)OC(C(C)=O)C)C(OCCCCCC)=O |