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4-{2'-[(9"-Fluorenyl)methyloxycarbonyl)amino]ethyl]-2,2-bis(trifluoromethyl)-1,3-oxathiolan-5-one
SpectraBase Compound ID 4qpKoCHDYQa
InChI InChI=1S/C22H17F6NO4S/c23-21(24,25)20(22(26,27)28)33-18(30)17(34-20)9-10-29-19(31)32-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,29,31)/t17-/m0/s1
InChIKey JFLLKLSOAOUARC-KRWDZBQOSA-N
Mol Weight 505.43 g/mol
Molecular Formula C22H17F6NO4S
Exact Mass 505.078248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3IdLXsHjc0P
Name 4-{2'-[(9"-Fluorenyl)methyloxycarbonyl)amino]ethyl]-2,2-bis(trifluoromethyl)-1,3-oxathiolan-5-one
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Formula C22H17F6NO4S
InChI InChI=1S/C22H17F6NO4S/c23-21(24,25)20(22(26,27)28)33-18(30)17(34-20)9-10-29-19(31)32-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,29,31)/t17-/m0/s1
InChIKey JFLLKLSOAOUARC-KRWDZBQOSA-N
Molecular Weight 505.431 g/mol
SMILES N(C(OCC1c2c(cccc2)-c2c1cccc2)=O)CC[C@@]1(SC(OC1=O)(C(F)(F)F)C(F)(F)F)[H]
SPLASH splash10-004i-0900010000-b878438a6f0e2bc95720
Source of Spectrum SB-136-771-16
Wiley ID 1612201