| SpectraBase Compound ID | 6q8VUgMPOsh |
|---|---|
| InChI | InChI=1S/C13H24O4/c1-5-10(3)16-12(14)8-7-9-13(15)17-11(4)6-2/h10-11H,5-9H2,1-4H3 |
| InChIKey | AMDIGSIYWJDTQZ-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 | 9W8WsdRpdpt |
|---|---|
| Name | Pentanedioic acid, bis(1-methylpropyl) 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/c1-5-10(3)16-12(14)8-7-9-13(15)17-11(4)6-2/h10-11H,5-9H2,1-4H3 |
| InChIKey | AMDIGSIYWJDTQZ-UHFFFAOYSA-N |
| Molecular Weight | 244.331 g/mol |
| SMILES | C(OC(CC)C)(CCCC(OC(CC)C)=O)=O |