| SpectraBase Compound ID | JtofmFgzpbt |
|---|---|
| InChI | InChI=1S/C27H48O3S2/c1-5-6-21-26(31-3)27(32-4)22-17-15-13-11-9-7-8-10-12-14-16-19-25(29)20-18-23-30-24(2)28/h16,18-20,26-27H,5-15,17,21-23H2,1-4H3/b19-16+,20-18+ |
| InChIKey | KWHKZEJMPKMFTQ-LUJNFERBSA-N |
| Mol Weight | 484.8 g/mol |
| Molecular Formula | C27H48O3S2 |
| Exact Mass | 484.304488 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 79RKqmkIm4w |
|---|---|
| Name | 1-(Acetoxy)-4-oxo-18,19-bis(methylthio)-tricosa-2,5-diene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H48O3S2 |
| InChI | InChI=1S/C27H48O3S2/c1-5-6-21-26(31-3)27(32-4)22-17-15-13-11-9-7-8-10-12-14-16-19-25(29)20-18-23-30-24(2)28/h16,18-20,26-27H,5-15,17,21-23H2,1-4H3/b19-16+,20-18+ |
| InChIKey | KWHKZEJMPKMFTQ-LUJNFERBSA-N |
| Molecular Weight | 484.798 g/mol |
| SMILES | C(\C=C\C(\C=C\CCCCCCCCCCCC(C(CCCC)SC)SC)=O)OC(=O)C |
| SPLASH | splash10-0adj-0936100000-f5759bbf4a32933fec09 |
| Source of Spectrum | G4-60-1147-8 |
| Synonyms | (2E,5E)-18,19-bis(methylsulfanyl)-4-oxo-2,5-tricosadienyl acetate Acetic acid[(2E,5E)-18,19-bis(methylthio)-4-oxotricosa-2,5-dienyl]ester Acetic acid[(2E,5E)-4-keto-18,19-bis(methylthio)tricosa-2,5-dienyl]ester [(2E,5E)-18,19-bis(methylsulfanyl)-4-oxidanylidene-tricosa-2,5-dienyl]ethanoate [(2E,5E)-18,19-bis(methylsulfanyl)-4-oxo-tricosa-2,5-dienyl]acetate Acetic acid [(2E,5E)-18,19-bis(methylthio)-4-oxotricosa-2,5-dienyl] ester [(2E,5E)-18,19-bis(methylsulfanyl)-4-oxotricosa-2,5-dienyl] acetate [(2E,5E)-18,19-bis(methylsulfanyl)-4-oxo-tricosa-2,5-dienyl] acetate [(2E,5E)-18,19-bis(methylsulfanyl)-4-oxidanylidene-tricosa-2,5-dienyl] ethanoate |
| Wiley ID | 1606960 |