| SpectraBase Compound ID | 8It6xj8lRqd |
|---|---|
| InChI | InChI=1S/C13H24O4/c1-4-11(10(2)3)17-13(16)9-7-5-6-8-12(14)15/h10-11H,4-9H2,1-3H3,(H,14,15) |
| InChIKey | WRRXCDZCPXLLGZ-UHFFFAOYSA-N |
| Mol Weight | 244.33 g/mol |
| Molecular Formula | C13H24O4 |
| Exact Mass | 244.167459 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LnS71zrvwIT |
|---|---|
| Name | Pimelic acid, 2-methylpent-3-yl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H24O4 |
| InChI | InChI=1S/C13H24O4/c1-4-11(10(2)3)17-13(16)9-7-5-6-8-12(14)15/h10-11H,4-9H2,1-3H3,(H,14,15) |
| InChIKey | WRRXCDZCPXLLGZ-UHFFFAOYSA-N |
| Molecular Weight | 244.331 g/mol |
| SMILES | OC(CCCCCC(OC(CC)C(C)C)=O)=O |
| SPLASH | splash10-0006-8900000000-8e3dfc33e4a1d07535cc |
| Source of Spectrum | TIPS-2022-889-0 |
| Wiley ID | 1822406 |