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(S)-4-{2'-[(Benzyloxycarbonyl)amino]ethyl]-2,2-bis(trifluoromethyl)-1,3-oxathiolan-5-one
SpectraBase Compound ID EIaLB21pXpY
InChI InChI=1S/C15H13F6NO4S/c16-14(17,18)13(15(19,20)21)26-11(23)10(27-13)6-7-22-12(24)25-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,22,24)/t10-/m0/s1
InChIKey MHKUTSWYNSQGRF-JTQLQIEISA-N
Mol Weight 417.32 g/mol
Molecular Formula C15H13F6NO4S
Exact Mass 417.046948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6RWgW55WA4z
Name (S)-4-{2'-[(Benzyloxycarbonyl)amino]ethyl]-2,2-bis(trifluoromethyl)-1,3-oxathiolan-5-one
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Formula C15H13F6NO4S
InChI InChI=1S/C15H13F6NO4S/c16-14(17,18)13(15(19,20)21)26-11(23)10(27-13)6-7-22-12(24)25-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,22,24)/t10-/m0/s1
InChIKey MHKUTSWYNSQGRF-JTQLQIEISA-N
Molecular Weight 417.322 g/mol
SMILES N(C(=O)OCc1ccccc1)CC[C@@]1(SC(OC1=O)(C(F)(F)F)C(F)(F)F)[H]
SPLASH splash10-0gbc-9600200000-9e006c4fdae43f1e7999
Source of Spectrum SB-136-771-16
Synonyms 4-{2'-[(Benzyloxycarbonyl)amino]ethyl]-2,2-bis(trifluoromethyl)-1,3-oxathiolan-5-one benzyl 2-[(4S)-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxathiolan-4-yl]ethylcarbamate
Wiley ID 1612202