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MDA, N-HFBP derivative
SpectraBase Compound ID E2U1n3KMV5S
InChI InChI=1S/C19H19F7N2O4/c1-10(7-11-4-5-13-14(8-11)32-9-31-13)27-15(29)12-3-2-6-28(12)16(30)17(20,21)18(22,23)19(24,25)26/h4-5,8,10,12H,2-3,6-7,9H2,1H3,(H,27,29)/t10-,12+/m1/s1
InChIKey YDKLRUXIUKOZRZ-PWSUYJOCSA-N
Mol Weight 472.36 g/mol
Molecular Formula C19H19F7N2O4
Exact Mass 472.123304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBLB2C58rCR
Name MDA, N-HFBP derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19F7N2O4
InChI InChI=1S/C19H19F7N2O4/c1-10(7-11-4-5-13-14(8-11)32-9-31-13)27-15(29)12-3-2-6-28(12)16(30)17(20,21)18(22,23)19(24,25)26/h4-5,8,10,12H,2-3,6-7,9H2,1H3,(H,27,29)/t10-,12+/m1/s1
InChIKey YDKLRUXIUKOZRZ-PWSUYJOCSA-N
Molecular Weight 472.360 g/mol
SMILES N(C([C@]1(N(C(C(C(C(F)(F)F)(F)F)(F)F)=O)CCC1)[H])=O)[C@@](Cc1cc2c(OCO2)cc1)(C)[H]
SPLASH splash10-02t9-1890000000-5d8d3822942c8ff53eb8
Source of Spectrum O-32-1236-0
Synonyms (2S)-N-[(1R)-2-(1,3-benzodioxol-5-yl)-1-methylethyl]-1-(2,2,3,3,4,4,4-heptafluorobutanoyl)-2-pyrrolidinecarboxamide
Wiley ID 1393223