| SpectraBase Compound ID | 3c5K1jrusCx |
|---|---|
| InChI | InChI=1S/C22H34O2S/c1-7-8-9-10-11-12-14-18(2)15-13-16-19(3)20(23)17-21(24)25-22(4,5)6/h7-12,16,18H,13-15,17H2,1-6H3/b8-7+,10-9+,12-11+,19-16+/t18-/m0/s1 |
| InChIKey | OCJSVXUCIUAJKJ-XTPDPUSTSA-N |
| Mol Weight | 362.6 g/mol |
| Molecular Formula | C22H34O2S |
| Exact Mass | 362.227952 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6KACWGMtZlA |
|---|---|
| Name | (4E,10E,12E,14E)-4,8-Dimethylhexadeca-4,10,12,14-tetraene-.beta.-ketothioate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H34O2S |
| InChI | InChI=1S/C22H34O2S/c1-7-8-9-10-11-12-14-18(2)15-13-16-19(3)20(23)17-21(24)25-22(4,5)6/h7-12,16,18H,13-15,17H2,1-6H3/b8-7+,10-9+,12-11+,19-16+/t18-/m0/s1 |
| InChIKey | OCJSVXUCIUAJKJ-XTPDPUSTSA-N |
| Molecular Weight | 362.572 g/mol |
| SMILES | C(C(SC(C)(C)C)=O)C(\C(=C\CC[C@](C\C=C\C=C\C=C\C)(C)[H])C)=O |
| SPLASH | splash10-0zmi-0953000000-6a239d1c28f84bbccc68 |
| Source of Spectrum | F5-3-279-2 |
| Synonyms | (R,4E,10E,12E,14E)-S-tert-butyl 4,8-dimethyl-3-oxohexadeca-4,10,12,14-tetraenethioate (4E,8R,10E,12E,14E)-4,8-dimethyl-3-oxohexadeca-4,10,12,14-tetraenethioic acid S-tert-butyl ester S-tert-butyl (4E,8R,10E,12E,14E)-4,8-dimethyl-3-oxohexadeca-4,10,12,14-tetraenethioate S-tert-butyl (4E,8R,10E,12E,14E)-4,8-dimethyl-3-oxo-hexadeca-4,10,12,14-tetraenethioate S-tert-butyl (4E,8R,10E,12E,14E)-4,8-dimethyl-3-oxidanylidene-hexadeca-4,10,12,14-tetraenethioate |
| Wiley ID | 1732139 |