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BENZYL-(2S,4S)-N-TERT.-BUTOXYCARBONYL-4-HYDROXY-4-TRIFLUOROMETHYL-L-PROLINATE
SpectraBase Compound ID HJ3MMJNBxWX
InChI InChI=1S/C18H22F3NO5/c1-16(2,3)27-15(24)22-11-17(25,18(19,20)21)9-13(22)14(23)26-10-12-7-5-4-6-8-12/h4-8,13,25H,9-11H2,1-3H3/t13-,17-/m0/s1
InChIKey KFEJPPKJHFGKEM-GUYCJALGSA-N
Mol Weight 389.37 g/mol
Molecular Formula C18H22F3NO5
Exact Mass 389.145007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lj010YrKeGO
Name (2S,4S)-4-hydroxy-4-(trifluoromethyl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-(phenylmethyl) ester
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Formula C18H22F3NO5
InChI InChI=1S/C18H22F3NO5/c1-16(2,3)27-15(24)22-11-17(25,18(19,20)21)9-13(22)14(23)26-10-12-7-5-4-6-8-12/h4-8,13,25H,9-11H2,1-3H3/t13-,17-/m0/s1
InChIKey KFEJPPKJHFGKEM-GUYCJALGSA-N
Molecular Weight 389.371 g/mol
SMILES O[C@]1(C[C@@](C(=O)OCc2ccccc2)(N(C1)C(=O)OC(C)(C)C)[H])C(F)(F)F
SPLASH splash10-052f-9010000000-e4e896fb710d5ef366e3
Source of Spectrum F-67-7164-5
Synonyms (2S,4S)-4-hydroxy-4-(trifluoromethyl)pyrrolidine-1,2-dicarboxylic acid O2-benzyl ester O1-tert-butyl ester 2-O-benzyl 1-O-tert-butyl (2S,4S)-4-hydroxy-4-(trifluoromethyl)pyrrolidine-1,2-dicarboxylate O1-tert-butyl O2-(phenylmethyl) (2S,4S)-4-oxidanyl-4-(trifluoromethyl)pyrrolidine-1,2-dicarboxylate O2-benzyl O1-tert-butyl (2S,4S)-4-hydroxy-4-(trifluoromethyl)pyrrolidine-1,2-dicarboxylate
Wiley ID 1571024