| SpectraBase Compound ID | 2uueMCLxSlu |
|---|---|
| InChI | InChI=1S/C25H50O2/c1-4-6-8-10-12-13-14-15-16-17-19-21-23-25(27-24(3)26)22-20-18-11-9-7-5-2/h25H,4-23H2,1-3H3 |
| InChIKey | NDJDCQXAAIGWOV-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 | 6sSBSvCgQrT |
|---|---|
| Name | 9-Tricosanol, acetate |
| 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/c1-4-6-8-10-12-13-14-15-16-17-19-21-23-25(27-24(3)26)22-20-18-11-9-7-5-2/h25H,4-23H2,1-3H3 |
| InChIKey | NDJDCQXAAIGWOV-UHFFFAOYSA-N |
| Molecular Weight | 382.673 g/mol |
| SMILES | CCCCCCCCC(CCCCCCCCCCCCCC)OC(C)=O |