| SpectraBase Compound ID | 363snhtxLMJ |
|---|---|
| InChI | InChI=1S/C13H24O4/c1-4-8-11(3)17-13(15)10-7-6-9-12(14)16-5-2/h11H,4-10H2,1-3H3 |
| InChIKey | IVRMOKLZSUIKJL-UHFFFAOYSA-N |
| Mol Weight | 244.33 g/mol |
| Molecular Formula | C13H24O4 |
| Exact Mass | 244.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Rntn53IE81 |
|---|---|
| Name | Adipic acid, 2-pentyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.167459249 u |
| Formula | C13H24O4 |
| InChI | InChI=1S/C13H24O4/c1-4-8-11(3)17-13(15)10-7-6-9-12(14)16-5-2/h11H,4-10H2,1-3H3 |
| InChIKey | IVRMOKLZSUIKJL-UHFFFAOYSA-N |
| Molecular Weight | 244.331 g/mol |
| SMILES | C(CCC(=O)OC(C)CCC)CC(OCC)=O |