| SpectraBase Compound ID | F35vKjWgUri |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-3-4-5-6-7-10-13-19-15(17)12-9-8-11-14(16)18-2/h3-13H2,1-2H3 |
| InChIKey | LOEAEHDYTFRYHG-UHFFFAOYSA-N |
| Mol Weight | 272.38 g/mol |
| Molecular Formula | C15H28O4 |
| Exact Mass | 272.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6XRYxLtooYZ |
|---|---|
| Name | Adipic acid, methyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.198759378 u |
| Formula | C15H28O4 |
| InChI | InChI=1S/C15H28O4/c1-3-4-5-6-7-10-13-19-15(17)12-9-8-11-14(16)18-2/h3-13H2,1-2H3 |
| InChIKey | LOEAEHDYTFRYHG-UHFFFAOYSA-N |
| SMILES | C(OC(CCCCC(=O)OC)=O)CCCCCCC |