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N-(N-heptafluorobutyryl-L-prolyl)-5-hydroxymethoxyphenamine
SpectraBase Compound ID 4NAm8kdj2ZV
InChI InChI=1S/C20H23F7N2O4/c1-12(10-13-6-3-4-8-15(13)33-11-30)28(2)16(31)14-7-5-9-29(14)17(32)18(21,22)19(23,24)20(25,26)27/h3-4,6,8,12,14,30H,5,7,9-11H2,1-2H3/t12?,14-/m0/s1
InChIKey JCPLJVVHLYSOFR-PYMCNQPYSA-N
Mol Weight 488.4 g/mol
Molecular Formula C20H23F7N2O4
Exact Mass 488.154604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37Ol48jVu3d
Name N-(N-heptafluorobutyryl-L-prolyl)-5-hydroxymethoxyphenamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23F7N2O4
InChI InChI=1S/C20H23F7N2O4/c1-12(10-13-6-3-4-8-15(13)33-11-30)28(2)16(31)14-7-5-9-29(14)17(32)18(21,22)19(23,24)20(25,26)27/h3-4,6,8,12,14,30H,5,7,9-11H2,1-2H3/t12?,14-/m0/s1
InChIKey JCPLJVVHLYSOFR-PYMCNQPYSA-N
Molecular Weight 488.403 g/mol
SMILES OCOc1c(CC(N(C([C@]2(N(C(C(C(C(F)(F)F)(F)F)(F)F)=O)CCC2)[H])=O)C)C)cccc1
SPLASH splash10-014i-0691000000-ebb533315c31cdfe7f57
Source of Spectrum JC-487-65-0
Synonyms (2S)-1-(2,2,3,3,4,4,4-heptafluorobutanoyl)-N-{2-[2-(hydroxymethoxy)phenyl]-1-methylethyl}-N-methyl-2-pyrrolidinecarboxamide
Wiley ID 1396790