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(S)-3-Benzyl-3,4-dihydro-5-(trifluoromethyl)-2H-[1,4]-oxazepin-7-one
SpectraBase Compound ID BsgBTkevLjM
InChI InChI=1S/C13H12F3NO2/c14-13(15,16)11-7-12(18)19-8-10(17-11)6-9-4-2-1-3-5-9/h1-5,7,10,17H,6,8H2/t10-/m0/s1
InChIKey TXVXMIZXEVVTAV-JTQLQIEISA-N
Mol Weight 271.24 g/mol
Molecular Formula C13H12F3NO2
Exact Mass 271.082013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIeyhM3MKcU
Name (S)-3-Benzyl-3,4-dihydro-5-(trifluoromethyl)-2H-[1,4]-oxazepin-7-one
Alternate Name(s) (3S)-3-benzyl-5-(trifluoromethyl)-3,4-dihydro-1,4-oxazepin-7(2H)-one 3-Benzyl-3,4-dihydro-5-(trifluoromethyl)-2H-[1,4]-oxazepin-7-one
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Formula C13H12F3NO2
InChI InChI=1S/C13H12F3NO2/c14-13(15,16)11-7-12(18)19-8-10(17-11)6-9-4-2-1-3-5-9/h1-5,7,10,17H,6,8H2/t10-/m0/s1
InChIKey TXVXMIZXEVVTAV-JTQLQIEISA-N
Molecular Weight 271.239 g/mol
SMILES N1[C@](COC(C=C1C(F)(F)F)=O)(Cc1ccccc1)[H]
SPLASH splash10-0006-9520000000-2be74652640cf6e89f61
Source of Spectrum H-86-731-3
Wiley ID 1525316