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L-Cysteine, N,S-di(trifluoroacetyl)-, 2,2,3,3,3-pentafluoropropyl ester

View entire compound with spectra: 1 NMR

L-Cysteine, N,S-di(trifluoroacetyl)-, 2,2,3,3,3-pentafluoropropyl ester
SpectraBase Compound ID FbCWNPeq9Jh
InChI InChI=1S/C10H6F11NO4S/c11-7(12,10(19,20)21)2-26-4(23)3(22-5(24)8(13,14)15)1-27-6(25)9(16,17)18/h3H,1-2H2,(H,22,24)
InChIKey DCQLIBWHNMOBAW-UHFFFAOYSA-N
Mol Weight 445.2 g/mol
Molecular Formula C10H6F11NO4S
Exact Mass 444.984189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5YRXq1XhbAZ
Name L-Cysteine, N,S-di(trifluoroacetyl)-, 2,2,3,3,3-pentafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 444.984188640 u
Formula C10H6F11NO4S
InChI InChI=1S/C10H6F11NO4S/c11-7(12,10(19,20)21)2-26-4(23)3(22-5(24)8(13,14)15)1-27-6(25)9(16,17)18/h3H,1-2H2,(H,22,24)
InChIKey DCQLIBWHNMOBAW-UHFFFAOYSA-N
Molecular Weight 445.203 g/mol
SMILES C(C(CSC(C(F)(F)F)=O)NC(C(F)(F)F)=O)(OCC(C(F)(F)F)(F)F)=O