![(E)-7,8-bis(methylsulfanyl)-N-[(3S)-2-oxotetrahydrofuran-3-yl]tetradec-2-enamide](/api/spectrum/BfgOFPkIt18/structure.png?h=300&w=458 "(E)-7,8-bis(methylsulfanyl)-N-[(3S)-2-oxotetrahydrofuran-3-yl]tetradec-2-enamide")
| SpectraBase Compound ID | 8W7Uz4gobnM |
|---|---|
| InChI | InChI=1S/C20H35NO3S2/c1-4-5-6-8-11-17(25-2)18(26-3)12-9-7-10-13-19(22)21-16-14-15-24-20(16)23/h10,13,16-18H,4-9,11-12,14-15H2,1-3H3,(H,21,22)/b13-10+/t16-,17?,18?/m0/s1 |
| InChIKey | PWCUCKRBIZRFAM-FFZFBTIFSA-N |
| Mol Weight | 401.6 g/mol |
| Molecular Formula | C20H35NO3S2 |
| Exact Mass | 401.205836 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BfgOFPkIt18 |
|---|---|
| Name | (E)-7,8-bis(methylsulfanyl)-N-[(3S)-2-oxotetrahydrofuran-3-yl]tetradec-2-enamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H35NO3S2 |
| InChI | InChI=1S/C20H35NO3S2/c1-4-5-6-8-11-17(25-2)18(26-3)12-9-7-10-13-19(22)21-16-14-15-24-20(16)23/h10,13,16-18H,4-9,11-12,14-15H2,1-3H3,(H,21,22)/b13-10+/t16-,17?,18?/m0/s1 |
| InChIKey | PWCUCKRBIZRFAM-FFZFBTIFSA-N |
| Instrument Name | Agilent 6890-HP 5973 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np900043j |
| Molecular Weight | 401.624 g/mol |
| SMILES | N(C(\C=C\CCCC(C(CCCCCC)SC)SC)=O)[C@]1(CCOC1=O)[H] |
| SPLASH | splash10-0a4i-9820000000-92642e5101f051b37095 |
| Source of Spectrum | G4-72-SM2-A2 |
| Wiley ID | 1872105 |