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(2R,4S)-N-(1,1-Dimethyl)ethoxycarbonyl]-4-trifluoromethyl-D-proline
SpectraBase Compound ID CJN97IuFnIJ
InChI InChI=1S/C11H16F3NO4/c1-10(2,3)19-9(18)15-5-6(11(12,13)14)4-7(15)8(16)17/h6-7H,4-5H2,1-3H3,(H,16,17)/t6-,7+/m0/s1
InChIKey OHIYKPXMNWXZQH-NKWVEPMBSA-N
Mol Weight 283.25 g/mol
Molecular Formula C11H16F3NO4
Exact Mass 283.103142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtpBZsYRPVs
Name (2R,4S)-N-(1,1-Dimethyl)ethoxycarbonyl]-4-trifluoromethyl-D-proline
Alternate Name(s) (2R,4S)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(trifluoromethyl)-2-pyrrolidinecarboxylic acid (2R,4S)-1-tert-butoxycarbonyl-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid (2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
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Formula C11H16F3NO4
InChI InChI=1S/C11H16F3NO4/c1-10(2,3)19-9(18)15-5-6(11(12,13)14)4-7(15)8(16)17/h6-7H,4-5H2,1-3H3,(H,16,17)/t6-,7+/m0/s1
InChIKey OHIYKPXMNWXZQH-NKWVEPMBSA-N
Molecular Weight 283.247 g/mol
SMILES OC([C@@]1(N(C(OC(C)(C)C)=O)C[C@](C(F)(F)F)([H])C1)[H])=O
SPLASH splash10-0a4r-9800000000-c6a6402e48ac1c982066
Source of Spectrum K-2002-2054-15
Wiley ID 1612956