| SpectraBase Compound ID | DeQbSJzCQr8 |
|---|---|
| InChI | InChI=1S/C25H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-25(26)23-24(2)3/h24H,4-23H2,1-3H3 |
| InChIKey | LPGKUHHQQXQXFT-UHFFFAOYSA-N |
| Mol Weight | 382.7 g/mol |
| Molecular Formula | C25H50O2 |
| Exact Mass | 382.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KvX3uaIzzpy |
|---|---|
| Name | Isovaleric acid, eicosyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.381080848 u |
| Formula | C25H50O2 |
| InChI | InChI=1S/C25H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-25(26)23-24(2)3/h24H,4-23H2,1-3H3 |
| InChIKey | LPGKUHHQQXQXFT-UHFFFAOYSA-N |
| Molecular Weight | 382.673 g/mol |
| SMILES | C(CC(C)C)(=O)OCCCCCCCCCCCCCCCCCCCC |