| SpectraBase Compound ID | 8zaD7Hwb4Zp |
|---|---|
| InChI | InChI=1S/C13H24O4/c1-3-5-8-11-17-13(15)10-7-6-9-12(14)16-4-2/h3-11H2,1-2H3 |
| InChIKey | KTUJPGVVSZUFKA-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 | 8aXMdyYgpRG |
|---|---|
| Name | Adipic acid, ethyl pentyl 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/c1-3-5-8-11-17-13(15)10-7-6-9-12(14)16-4-2/h3-11H2,1-2H3 |
| InChIKey | KTUJPGVVSZUFKA-UHFFFAOYSA-N |
| Molecular Weight | 244.331 g/mol |
| SMILES | C(CCC(=O)OCCCCC)CC(OCC)=O |