| SpectraBase Compound ID | 1zmZ01LHm1A |
|---|---|
| InChI | InChI=1S/C12H24O2S/c1-2-3-4-5-6-7-8-9-10-14-12(13)11-15/h15H,2-11H2,1H3 |
| InChIKey | LMDIIDPLWVGXKM-UHFFFAOYSA-N |
| Mol Weight | 232.38 g/mol |
| Molecular Formula | C12H24O2S |
| Exact Mass | 232.149701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3JBRC3fmhU |
|---|---|
| Name | Mercaptoacetic acid, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.149701185 u |
| Formula | C12H24O2S |
| InChI | InChI=1S/C12H24O2S/c1-2-3-4-5-6-7-8-9-10-14-12(13)11-15/h15H,2-11H2,1H3 |
| InChIKey | LMDIIDPLWVGXKM-UHFFFAOYSA-N |
| Molecular Weight | 232.382 g/mol |
| SMILES | SCC(OCCCCCCCCCC)=O |