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L-Proline, 1-[N-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-L-.alpha.-aspartyl]-4-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-, dimethyl ester

View entire compound with spectra: 1 MS (GC)

L-Proline, 1-[N-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-L-.alpha.-aspartyl]-4-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-, dimethyl ester
SpectraBase Compound ID 9c09LdUO2Mh
InChI InChI=1S/C19H16F14N2O8/c1-41-9(36)4-7(34-12(39)14(20,21)16(24,25)18(28,29)30)10(37)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 YIQSZKGNJHUHLM-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 FOtj1wtpd9g
Name L-Proline, 1-[N-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-L-.alpha.-aspartyl]-4-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-, dimethyl ester
Alternate Name(s) Methyl (2S)-1-{(2S)-2-[(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
CAS Registry Number 106414-02-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16F14N2O8
InChI InChI=1S/C19H16F14N2O8/c1-41-9(36)4-7(34-12(39)14(20,21)16(24,25)18(28,29)30)10(37)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 YIQSZKGNJHUHLM-ALKRTJFJSA-N
Molecular Weight 666.321 g/mol
SMILES N(C(C(C(C(F)(F)F)(F)F)(F)F)=O)[C@](C(N1CC(C[C@]1(C(=O)OC)[H])OC(C(C(C(F)(F)F)(F)F)(F)F)=O)=O)(CC(=O)OC)[H]
SPLASH splash10-0159-2190001000-a1d1c4d943a5e5a2663f
Source of Spectrum JC-382-44-0
Wiley ID 1413753