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L-Proline, 1-[N-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-L-.beta.-aspartyl]-4-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-, dimethyl ester
SpectraBase Compound ID CJwy7no5FXU
InChI InChI=1S/C19H16F14N2O8/c1-41-10(37)7(34-12(39)14(20,21)16(24,25)18(28,29)30)4-9(36)35-5-6(3-8(35)11(38)42-2)43-13(40)15(22,23)17(26,27)19(31,32)33/h6-8H,3-5H2,1-2H3,(H,34,39)/t6?,7-,8-/m0/s1
InChIKey FEZXJWNSHDKCIC-ALKRTJFJSA-N
Mol Weight 666.32 g/mol
Molecular Formula C19H16F14N2O8
Exact Mass 666.06831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tVx0dUzksR
Name L-Proline, 1-[N-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-L-.beta.-aspartyl]-4-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-, dimethyl ester
CAS Registry Number 106414-03-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16F14N2O8
InChI InChI=1S/C19H16F14N2O8/c1-41-10(37)7(34-12(39)14(20,21)16(24,25)18(28,29)30)4-9(36)35-5-6(3-8(35)11(38)42-2)43-13(40)15(22,23)17(26,27)19(31,32)33/h6-8H,3-5H2,1-2H3,(H,34,39)/t6?,7-,8-/m0/s1
InChIKey FEZXJWNSHDKCIC-ALKRTJFJSA-N
Molecular Weight 666.321 g/mol
SMILES N(C(C(C(C(F)(F)F)(F)F)(F)F)=O)[C@@](CC(N1CC(C[C@]1(C(=O)OC)[H])OC(C(C(C(F)(F)F)(F)F)(F)F)=O)=O)(C(=O)OC)[H]
SPLASH splash10-014i-6490000000-e80121e7e39f2432cda2
Source of Spectrum JC-382-44-4
Synonyms L-proline, 1-[n-heptafluoro-1-oxobutyl)-l.beta.aspartyl]-4-heptafluoro-1-oxobutoxy], dimethyl ester Methyl (2S)-1-{(3S)-3-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4-methoxy-4-oxobutanoyl}-4-[(2,2,3,3,4,4,4-heptafluorobutanoyl)oxy]-2-pyrrolidinecarboxylate
Wiley ID 1413752