| SpectraBase Compound ID | 7CbgJmyR0Uf |
|---|---|
| InChI | InChI=1S/C12H22O4/c1-3-4-7-10-16-12(14)9-6-5-8-11(13)15-2/h3-10H2,1-2H3 |
| InChIKey | NMHZTSKXTDKFDH-UHFFFAOYSA-N |
| Mol Weight | 230.3 g/mol |
| Molecular Formula | C12H22O4 |
| Exact Mass | 230.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cla9WFOyB1C |
|---|---|
| Name | Adipic acid, methyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.151809184 u |
| Formula | C12H22O4 |
| InChI | InChI=1S/C12H22O4/c1-3-4-7-10-16-12(14)9-6-5-8-11(13)15-2/h3-10H2,1-2H3 |
| InChIKey | NMHZTSKXTDKFDH-UHFFFAOYSA-N |
| Molecular Weight | 230.304 g/mol |
| SMILES | CCCCCOC(CCCCC(=O)OC)=O |