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[(1R,3S)-2,2-dimethyl-3-(2-methyl-2-oxidanyl-propyl)cyclopropyl]methyl-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methyl]cyanamide
SpectraBase Compound ID IfIm0lTSIa4
InChI InChI=1S/C18H21F5N2O/c1-17(2,26)5-10-11(18(10,3)4)7-25(8-24)6-9-12(19)14(21)16(23)15(22)13(9)20/h10-11,26H,5-7H2,1-4H3/t10-,11+/m0/s1
InChIKey PHZQCOBOALQGTB-WDEREUQCSA-N
Mol Weight 376.37 g/mol
Molecular Formula C18H21F5N2O
Exact Mass 376.157404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YW829DXK5U
Name [(1R,3S)-2,2-dimethyl-3-(2-methyl-2-oxidanyl-propyl)cyclopropyl]methyl-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methyl]cyanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21F5N2O
InChI InChI=1S/C18H21F5N2O/c1-17(2,26)5-10-11(18(10,3)4)7-25(8-24)6-9-12(19)14(21)16(23)15(22)13(9)20/h10-11,26H,5-7H2,1-4H3/t10-,11+/m0/s1
InChIKey PHZQCOBOALQGTB-WDEREUQCSA-N
Molecular Weight 376.371 g/mol
SMILES OC(C[C@@]1(C([C@@]1(CN(C#N)Cc1c(c(F)c(c(c1F)F)F)F)[H])(C)C)[H])(C)C
SPLASH splash10-000x-9500000000-f69294c03147d0f24429
Source of Spectrum SO-0-1157-25
Synonyms [(1R,3S)-3-(2-hydroxy-2-methyl-propyl)-2,2-dimethyl-cyclopropyl]methyl-(2,3,4,5,6-pentafluorobenzyl)cyanamide [(1R,3S)-3-(2-hydroxy-2-methyl-propyl)-2,2-dimethyl-cyclopropyl]methyl-[(2,3,4,5,6-pentafluorophenyl)methyl]cyanamide
Wiley ID 877923