| SpectraBase Compound ID | ATknlCLok02 |
|---|---|
| InChI | InChI=1S/C12H22O4/c1-9(2)10(3)16-12(15)8-6-4-5-7-11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14) |
| InChIKey | BJZLGHZTMMMJTA-UHFFFAOYSA-N |
| Mol Weight | 230.3 g/mol |
| Molecular Formula | C12H22O4 |
| Exact Mass | 230.151809 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9HscSW0wtJ1 |
|---|---|
| Name | Pimelic acid, 3-methylbut-2-yl ester |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H22O4 |
| InChI | InChI=1S/C12H22O4/c1-9(2)10(3)16-12(15)8-6-4-5-7-11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14) |
| InChIKey | BJZLGHZTMMMJTA-UHFFFAOYSA-N |
| Molecular Weight | 230.304 g/mol |
| SMILES | OC(CCCCCC(OC(C(C)C)C)=O)=O |
| SPLASH | splash10-0006-9700000000-f761aa49e86c4ddb2933 |
| Source of Spectrum | TIPS-2022-815-0 |
| Wiley ID | 1822332 |