| SpectraBase Compound ID | jHwQpzFyyO |
|---|---|
| InChI | InChI=1S/C11H13F6NO4S/c1-2-3-4-22-7(19)6(18-8(20)10(12,13)14)5-23-9(21)11(15,16)17/h6H,2-5H2,1H3,(H,18,20)/t6-/m0/s1 |
| InChIKey | TYNGWYVRATVMAR-LURJTMIESA-N |
| Mol Weight | 369.28 g/mol |
| Molecular Formula | C11H13F6NO4S |
| Exact Mass | 369.046948 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K1SFshFEKes |
|---|---|
| Name | TAB - Cysteine |
| CAS Registry Number | 5282-99-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H13F6NO4S |
| InChI | InChI=1S/C11H13F6NO4S/c1-2-3-4-22-7(19)6(18-8(20)10(12,13)14)5-23-9(21)11(15,16)17/h6H,2-5H2,1H3,(H,18,20)/t6-/m0/s1 |
| InChIKey | TYNGWYVRATVMAR-LURJTMIESA-N |
| Molecular Weight | 369.278 g/mol |
| SMILES | N([C@](C(=O)OCCCC)(CSC(C(F)(F)F)=O)[H])C(C(F)(F)F)=O |
| SPLASH | splash10-0aou-9820000000-64753c134773dc9efa31 |
| Source of Spectrum | W-0-1-450 |
| Synonyms | Butyl (2R)-2-[(trifluoroacetyl)amino]-3-[(trifluoroacetyl)sulfanyl]propanoate N,S-bis(Trifluoroacetyl)-cysteine-butyl ester (2R)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]-3-[(2,2,2-trifluoro-1-oxoethyl)thio]propanoic acid butyl ester Butyl (2R)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)sulfanylpropanoate Butyl (2R)-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)sulfanyl-propanoate Butyl (2R)-2-[2,2,2-tris(fluoranyl)ethanoylamino]-3-[2,2,2-tris(fluoranyl)ethanoylsulfanyl]propanoate |
| Wiley ID | 754113 |