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(5S)-5-[2-(9-FLUORENYLMETHOXYCARBONYLAMINO)-ETHYL]-2,2-BIS-(TRIFLUOROMETHYL)-5-METHYL-1,3-DIOXOLAN-4-ONE
SpectraBase Compound ID DjDCrsUqgDP
InChI InChI=1S/C23H19F6NO5/c1-20(18(31)34-21(35-20,22(24,25)26)23(27,28)29)10-11-30-19(32)33-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,30,32)/t20-/m0/s1
InChIKey BILPGZBZCMDLPZ-FQEVSTJZSA-N
Mol Weight 503.4 g/mol
Molecular Formula C23H19F6NO5
Exact Mass 503.116742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIwgHUmwsFR
Name (S)-5-{2'-[(9"-Fluorenyl)methoxycarbonylamino]ethyl}-2,2-bis(trifluoromethyl)-5-methyl-1,3-dioxolan-4-one
Alternate Name(s) 5-{2'-[(9''-Fluorenyl)methoxycarbonylamino]ethyl}-2,2-bis(trifluoromethyl)-5-methyl-1,3-dioxolan-4-one 9H-fluoren-9-ylmethyl 2-[(4S)-4-methyl-5-oxo-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]ethylcarbamate
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Formula C23H19F6NO5
InChI InChI=1S/C23H19F6NO5/c1-20(18(31)34-21(35-20,22(24,25)26)23(27,28)29)10-11-30-19(32)33-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,30,32)/t20-/m0/s1
InChIKey BILPGZBZCMDLPZ-FQEVSTJZSA-N
Molecular Weight 503.397 g/mol
SMILES N(C(OCC1c2c(cccc2)-c2c1cccc2)=O)CC[C@@]1(OC(OC1=O)(C(F)(F)F)C(F)(F)F)C
SPLASH splash10-004i-0900000000-199eff8853b3a0e8ca42
Source of Spectrum SB-136-771-15
Wiley ID 1612204