| SpectraBase Compound ID | KDoMCTPAn2M |
|---|---|
| InChI | InChI=1S/C20H42O3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-23-24(21)22-19-6-4-2/h3-20H2,1-2H3 |
| InChIKey | OODZZRVAQNMNFG-UHFFFAOYSA-N |
| Mol Weight | 362.6 g/mol |
| Molecular Formula | C20H42O3S |
| Exact Mass | 362.285466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AAn7FglEYX5 |
|---|---|
| Name | Sulfurous acid, butyl hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.285466383 u |
| Formula | C20H42O3S |
| InChI | InChI=1S/C20H42O3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-23-24(21)22-19-6-4-2/h3-20H2,1-2H3 |
| InChIKey | OODZZRVAQNMNFG-UHFFFAOYSA-N |
| Molecular Weight | 362.613 g/mol |
| SMILES | C(CCCCOS(OCCCC)=O)CCCCCCCCCCC |