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2-Pyrrolidineacetic acid, 1-[[1-(trifluoroacetyl)-2-pyrrolidinyl]carbonyl]-, methyl ester, [S-(R*,R*)]-
SpectraBase Compound ID 8hl4QwnyuHN
InChI InChI=1S/C14H19F3N2O4/c1-23-11(20)8-9-4-2-6-18(9)12(21)10-5-3-7-19(10)13(22)14(15,16)17/h9-10H,2-8H2,1H3/t9-,10+/m0/s1
InChIKey VDKKXCBKQXYQQC-VHSXEESVSA-N
Mol Weight 336.31 g/mol
Molecular Formula C14H19F3N2O4
Exact Mass 336.129692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ki3RW8h6CLF
Name 2-Pyrrolidineacetic acid, 1-[[1-(trifluoroacetyl)-2-pyrrolidinyl]carbonyl]-, methyl ester, [S-(R*,R*)]-
Alternate Name(s) Methyl ((2S)-1-{[(2R)-1-(trifluoroacetyl)pyrrolidinyl]carbonyl}pyrrolidinyl)acetate N-TFA-(-)-(S)-prolyl-(RS)-pyrralidine-2-acetic acid methyl ester
CAS Registry Number 53912-84-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19F3N2O4
InChI InChI=1S/C14H19F3N2O4/c1-23-11(20)8-9-4-2-6-18(9)12(21)10-5-3-7-19(10)13(22)14(15,16)17/h9-10H,2-8H2,1H3/t9-,10+/m0/s1
InChIKey VDKKXCBKQXYQQC-VHSXEESVSA-N
Molecular Weight 336.311 g/mol
SMILES C(N1[C@@](C(N2[C@](CC(=O)OC)(CCC2)[H])=O)(CCC1)[H])(C(F)(F)F)=O
SPLASH splash10-002g-9811000000-c1b47d96213d2f4481ab
Source of Spectrum KC-74-1162-1
Wiley ID 1332085