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Benzyl (2S)-N-tert-Butoxycarbonyl-4-trifluoromethyl-3,4-dehydroprolinate
SpectraBase Compound ID CqvAOABanrK
InChI InChI=1S/C18H20F3NO4/c1-17(2,3)26-16(24)22-10-13(18(19,20)21)9-14(22)15(23)25-11-12-7-5-4-6-8-12/h4-9,14H,10-11H2,1-3H3/t14-/m0/s1
InChIKey GMEUPKKQJBAJIJ-AWEZNQCLSA-N
Mol Weight 371.36 g/mol
Molecular Formula C18H20F3NO4
Exact Mass 371.134443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGiJX20dUaP
Name Benzyl (2S)-N-tert-Butoxycarbonyl-4-trifluoromethyl-3,4-dehydroprolinate
Alternate Name(s) (2S)-4-(trifluoromethyl)-2,5-dihydropyrrole-1,2-dicarboxylic acid O1-tert-butyl ester O2-(phenylmethyl) ester 2-O-benzyl 1-O-tert-butyl (2S)-4-(trifluoromethyl)-2,5-dihydropyrrole-1,2-dicarboxylate O2-benzyl O1-tert-butyl (2S)-4-(trifluoromethyl)-2,5-dihydropyrrole-1,2-dicarboxylate O1-tert-butyl O2-(phenylmethyl) (2S)-4-(trifluoromethyl)-2,5-dihydropyrrole-1,2-dicarboxylate
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Formula C18H20F3NO4
InChI InChI=1S/C18H20F3NO4/c1-17(2,3)26-16(24)22-10-13(18(19,20)21)9-14(22)15(23)25-11-12-7-5-4-6-8-12/h4-9,14H,10-11H2,1-3H3/t14-/m0/s1
InChIKey GMEUPKKQJBAJIJ-AWEZNQCLSA-N
Molecular Weight 371.356 g/mol
SMILES C(N1[C@@](C=C(C1)C(F)(F)F)(C(OCc1ccccc1)=O)[H])(OC(C)(C)C)=O
SPLASH splash10-0a4l-9001000000-2c91d2493b79e0a20f72
Source of Spectrum F-67-7164-6
Wiley ID 1571023