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(S)-4-{2'-[(t-Butoxycarbonyl)amino]ethyl]-2,2-bis(trifluoromethyl)-1,3-oxathiolan-5-one
SpectraBase Compound ID IQ4csgEoa6R
InChI InChI=1S/C12H15F6NO4S/c1-9(2,3)23-8(21)19-5-4-6-7(20)22-10(24-6,11(13,14)15)12(16,17)18/h6H,4-5H2,1-3H3,(H,19,21)/t6-/m0/s1
InChIKey GGFSEIAFHAJLJO-LURJTMIESA-N
Mol Weight 383.31 g/mol
Molecular Formula C12H15F6NO4S
Exact Mass 383.062598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DClifrpnPuz
Name (S)-4-{2'-[(t-Butoxycarbonyl)amino]ethyl]-2,2-bis(trifluoromethyl)-1,3-oxathiolan-5-one
Alternate Name(s) 4-{2'-[(t-Butoxycarbonyl)amino]ethyl]-2,2-bis(trifluoromethyl)-1,3-oxathiolan-5-one tert-Butyl 2-[(4S)-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxathiolan-4-yl]ethylcarbamate
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Formula C12H15F6NO4S
InChI InChI=1S/C12H15F6NO4S/c1-9(2,3)23-8(21)19-5-4-6-7(20)22-10(24-6,11(13,14)15)12(16,17)18/h6H,4-5H2,1-3H3,(H,19,21)/t6-/m0/s1
InChIKey GGFSEIAFHAJLJO-LURJTMIESA-N
Molecular Weight 383.305 g/mol
SMILES N(C(OC(C)(C)C)=O)CC[C@@]1(SC(OC1=O)(C(F)(F)F)C(F)(F)F)[H]
SPLASH splash10-00o0-0695000000-df3c92b5522cadb9c02c
Source of Spectrum SB-136-771-16
Wiley ID 1612203