| SpectraBase Compound ID | Lrbb0cDUJol |
|---|---|
| InChI | InChI=1S/C15H26O3S/c1-5-12-18-13(16)10-8-6-7-9-11-14(17)19-15(2,3)4/h9,11H,5-8,10,12H2,1-4H3/b11-9+ |
| InChIKey | ANGGVMKUIMANLS-PKNBQFBNSA-N |
| Mol Weight | 286.43 g/mol |
| Molecular Formula | C15H26O3S |
| Exact Mass | 286.160266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4dhXon8rjCA |
|---|---|
| Name | (E)-8-(Tert-butylthio)-8-keto-oct-6-enoic acid propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.160265868 u |
| Formula | C15H26O3S |
| InChI | InChI=1S/C15H26O3S/c1-5-12-18-13(16)10-8-6-7-9-11-14(17)19-15(2,3)4/h9,11H,5-8,10,12H2,1-4H3/b11-9+ |
| InChIKey | ANGGVMKUIMANLS-PKNBQFBNSA-N |
| SMILES | C(CCCC\C=C\C(=O)SC(C)(C)C)(=O)OCCC |