| SpectraBase Compound ID | KrOCJf34x2Y |
|---|---|
| InChI | InChI=1S/C13H24O4/c1-10(2)11(8-9-13(15)17-4)6-5-7-12(14)16-3/h10-11H,5-9H2,1-4H3 |
| InChIKey | DJAWFTXIFMKLIO-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 | G9dzUtGVMzp |
|---|---|
| Name | Octanedioic acid, 4-isopropyl-, dimethyl 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/c1-10(2)11(8-9-13(15)17-4)6-5-7-12(14)16-3/h10-11H,5-9H2,1-4H3 |
| InChIKey | DJAWFTXIFMKLIO-UHFFFAOYSA-N |
| Molecular Weight | 244.331 g/mol |
| SMILES | C(=O)(OC)CCC(CCCC(OC)=O)C(C)C |