| SpectraBase Compound ID | BxP88QTypMl |
|---|---|
| InChI | InChI=1S/C25H52O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27-25-22-24-26-4-2/h3-25H2,1-2H3 |
| InChIKey | RNICXQGWDRJREC-UHFFFAOYSA-N |
| Mol Weight | 384.7 g/mol |
| Molecular Formula | C25H52O2 |
| Exact Mass | 384.396731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8SxvY1djXSx |
|---|---|
| Name | 1,3-Propanediol, eicosyl ethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.396730912 u |
| Formula | C25H52O2 |
| InChI | InChI=1S/C25H52O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27-25-22-24-26-4-2/h3-25H2,1-2H3 |
| InChIKey | RNICXQGWDRJREC-UHFFFAOYSA-N |
| Molecular Weight | 384.689 g/mol |
| SMILES | C(COCC)COCCCCCCCCCCCCCCCCCCCC |