| SpectraBase Compound ID | B0aEucN6si7 |
|---|---|
| InChI | InChI=1S/C21H44O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-25(22)24-21(3)19-5-2/h21H,4-20H2,1-3H3 |
| InChIKey | QCVJXVOBDGSQMD-UHFFFAOYSA-N |
| Mol Weight | 376.6 g/mol |
| Molecular Formula | C21H44O3S |
| Exact Mass | 376.301116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CkRxh46jYUI |
|---|---|
| Name | Sulfurous acid, hexadecyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.301116448 u |
| Formula | C21H44O3S |
| InChI | InChI=1S/C21H44O3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-25(22)24-21(3)19-5-2/h21H,4-20H2,1-3H3 |
| InChIKey | QCVJXVOBDGSQMD-UHFFFAOYSA-N |
| Molecular Weight | 376.640 g/mol |
| SMILES | C(OS(OC(CCC)C)=O)CCCCCCCCCCCCCCC |