| SpectraBase Compound ID | CS2IdYw1xZk |
|---|---|
| InChI | InChI=1S/C20H34O5/c1-11(2)9-15(21)25-14-10-13(5)16(22)18(23)19(6)7-8-20(24,12(3)4)17(14)19/h11-12,14,16-18,22-24H,5,7-10H2,1-4,6H3/t14-,16+,17+,18+,19?,20+/m0/s1 |
| InChIKey | BABPDNOTIHMCNF-TVKZJPNASA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C20H34O5 |
| Exact Mass | 354.240624 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GWB0Rvzb0DL |
|---|---|
| Name | 5-Isovalerate of isolancertetrol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H34O5 |
| InChI | InChI=1S/C20H34O5/c1-11(2)9-15(21)25-14-10-13(5)16(22)18(23)19(6)7-8-20(24,12(3)4)17(14)19/h11-12,14,16-18,22-24H,5,7-10H2,1-4,6H3/t14-,16+,17+,18+,19?,20+/m0/s1 |
| InChIKey | BABPDNOTIHMCNF-TVKZJPNASA-N |
| Molecular Weight | 354.487 g/mol |
| SMILES | O[C@@]1([C@]2(C([C@@]([C@@](C(C[C@@]2(OC(=O)CC(C)C)[H])=C)(O)[H])(O)[H])(CC1)C)[H])C(C)C |
| SPLASH | splash10-0006-0930000000-e941066b08a6b8e472e4 |
| Source of Spectrum | CF-10-492-24 |
| Wiley ID | 1556972 |