![Propyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-3-[(2,2,3,3,4,4,4-heptafluorobutanoyl)sulfanyl]propanoate](/api/spectrum/6Bs2gRoeruW/structure.png?h=300&w=458 "Propyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-3-[(2,2,3,3,4,4,4-heptafluorobutanoyl)sulfanyl]propanoate")
| SpectraBase Compound ID | 3PQPzNrHtTW |
|---|---|
| InChI | InChI=1S/C14H11F14NO4S/c1-2-3-33-6(30)5(29-7(31)9(15,16)11(19,20)13(23,24)25)4-34-8(32)10(17,18)12(21,22)14(26,27)28/h5H,2-4H2,1H3,(H,29,31) |
| InChIKey | MAYMWAFTRAUVIB-UHFFFAOYSA-N |
| Mol Weight | 555.28 g/mol |
| Molecular Formula | C14H11F14NO4S |
| Exact Mass | 555.018523 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6Bs2gRoeruW |
|---|---|
| Name | Propyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-3-[(2,2,3,3,4,4,4-heptafluorobutanoyl)sulfanyl]propanoate |
| CAS Registry Number | 75743-29-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H11F14NO4S |
| InChI | InChI=1S/C14H11F14NO4S/c1-2-3-33-6(30)5(29-7(31)9(15,16)11(19,20)13(23,24)25)4-34-8(32)10(17,18)12(21,22)14(26,27)28/h5H,2-4H2,1H3,(H,29,31) |
| InChIKey | MAYMWAFTRAUVIB-UHFFFAOYSA-N |
| Molecular Weight | 555.283 g/mol |
| SMILES | N(C(CSC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(OCCC)=O)C(=O)C(F)(F)C(F)(F)C(F)(F)F |
| SPLASH | splash10-00kf-9461100000-57c40f61e0b3d2ac6097 |
| Source of Spectrum | W5-1989-6809-1 |
| Synonyms | 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-(2,2,3,3,4,4,4-heptafluorobutanoylthio)propionic acid propyl ester 2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-3-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)thio]propanoic acid propyl ester N,S-Bis(heptafluorobutyryl)cysteine propyl ester Propyl 2-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]-3-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylsulfanyl]propanoate |
| Wiley ID | 1406271 |