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(3S)-3-(2-methylsulfanylethyl)-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydro-2H-1,4-oxazepin-7-one
SpectraBase Compound ID L169ywNAj23
InChI InChI=1S/C10H12F5NO2S/c1-19-3-2-6-5-18-8(17)4-7(16-6)9(11,12)10(13,14)15/h4,6,16H,2-3,5H2,1H3/t6-/m0/s1
InChIKey MYWWLPWNQUWOQV-LURJTMIESA-N
Mol Weight 305.26 g/mol
Molecular Formula C10H12F5NO2S
Exact Mass 305.050891 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbIu5OodW4a
Name (3S)-3-(2-methylsulfanylethyl)-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydro-2H-1,4-oxazepin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12F5NO2S
InChI InChI=1S/C10H12F5NO2S/c1-19-3-2-6-5-18-8(17)4-7(16-6)9(11,12)10(13,14)15/h4,6,16H,2-3,5H2,1H3/t6-/m0/s1
InChIKey MYWWLPWNQUWOQV-LURJTMIESA-N
Molecular Weight 305.263 g/mol
SMILES N1[C@](COC(C=C1C(C(F)(F)F)(F)F)=O)(CCSC)[H]
SPLASH splash10-03di-9310000000-a3f6addff95873eb1a61
Source of Spectrum H-86-732-3
Synonyms (3S)-3-(2-methylsulfanylethyl)-5-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-3,4-dihydro-2H-1,4-oxazepin-7-one (3S)-3-[2-(methylthio)ethyl]-5-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydro-2H-1,4-oxazepin-7-one
Wiley ID 1525312