![Undecanoic acid, 11-[[10-(acetyloxy)decyl]thio]-, methyl ester](/api/spectrum/Ds9xx8ynlqw/structure.png?h=300&w=458 "Undecanoic acid, 11-[[10-(acetyloxy)decyl]thio]-, methyl ester")
| SpectraBase Compound ID | AFBAwTN66mp |
|---|---|
| InChI | InChI=1S/C24H46O4S/c1-23(25)28-20-16-12-8-4-6-10-14-18-22-29-21-17-13-9-5-3-7-11-15-19-24(26)27-2/h3-22H2,1-2H3 |
| InChIKey | MFDYUGYEUWBQOY-UHFFFAOYSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C24H46O4S |
| Exact Mass | 430.311681 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ds9xx8ynlqw |
|---|---|
| Name | Undecanoic acid, 11-[[10-(acetyloxy)decyl]thio]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.311681131 u |
| Formula | C24H46O4S |
| InChI | InChI=1S/C24H46O4S/c1-23(25)28-20-16-12-8-4-6-10-14-18-22-29-21-17-13-9-5-3-7-11-15-19-24(26)27-2/h3-22H2,1-2H3 |
| InChIKey | MFDYUGYEUWBQOY-UHFFFAOYSA-N |
| Molecular Weight | 430.688 g/mol |
| SMILES | COC(=O)CCCCCCCCCCSCCCCCCCCCCOC(C)=O |