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3(S)-(2'-Methylpropyl)-3,4-dihydro-5-(perfluoroethyl)-2H-[1,4]-oxazepin-7-one
SpectraBase Compound ID 34jUrPtl1Lo
InChI InChI=1S/C11H14F5NO2/c1-6(2)3-7-5-19-9(18)4-8(17-7)10(12,13)11(14,15)16/h4,6-7,17H,3,5H2,1-2H3/t7-/m0/s1
InChIKey TYLVTLLVOGJFBH-ZETCQYMHSA-N
Mol Weight 287.23 g/mol
Molecular Formula C11H14F5NO2
Exact Mass 287.09447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3avFvhxA7BJ
Name 3(S)-(2'-Methylpropyl)-3,4-dihydro-5-(perfluoroethyl)-2H-[1,4]-oxazepin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14F5NO2
InChI InChI=1S/C11H14F5NO2/c1-6(2)3-7-5-19-9(18)4-8(17-7)10(12,13)11(14,15)16/h4,6-7,17H,3,5H2,1-2H3/t7-/m0/s1
InChIKey TYLVTLLVOGJFBH-ZETCQYMHSA-N
Molecular Weight 287.230 g/mol
SMILES N1[C@](COC(C=C1C(C(F)(F)F)(F)F)=O)(CC(C)C)[H]
SPLASH splash10-0uec-4190000000-09df2c00bbffa0e795ca
Source of Spectrum H-86-732-3
Synonyms (3S)-3-isobutyl-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydro-1,4-oxazepin-7(2H)-one 3-(2'-Methylpropyl)-3,4-dihydro-5-(perfluoroethyl)-2H-[1,4]-oxazepin-7-one
Wiley ID 1525314