| SpectraBase Compound ID | 4AOynYRrJii |
|---|---|
| InChI | InChI=1S/C20H34O4/c1-12(2)9-17(22)24-16-10-14(5)15(21)11-19(6)7-8-20(23,13(3)4)18(16)19/h12-13,15-16,18,21,23H,5,7-11H2,1-4,6H3/t15-,16-,18+,19?,20+/m0/s1 |
| InChIKey | CRXFVRRPHNCEQF-XCDBEOENSA-N |
| Mol Weight | 338.5 g/mol |
| Molecular Formula | C20H34O4 |
| Exact Mass | 338.24571 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8TSPkkXmnho |
|---|---|
| Name | 5-Isovalerate of isolancerotriol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H34O4 |
| InChI | InChI=1S/C20H34O4/c1-12(2)9-17(22)24-16-10-14(5)15(21)11-19(6)7-8-20(23,13(3)4)18(16)19/h12-13,15-16,18,21,23H,5,7-11H2,1-4,6H3/t15-,16-,18+,19?,20+/m0/s1 |
| InChIKey | CRXFVRRPHNCEQF-XCDBEOENSA-N |
| Molecular Weight | 338.488 g/mol |
| SMILES | O[C@]1(CCC2([C@]1([C@](CC([C@](C2)(O)[H])=C)(OC(=O)CC(C)C)[H])[H])C)C(C)C |
| SPLASH | splash10-004i-0910000000-09682ebe03d9af17a225 |
| Source of Spectrum | CF-10-487-14 |
| Wiley ID | 1556981 |