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6-(Trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one
SpectraBase Compound ID Nc8NQrFNfh
InChI InChI=1S/C9H6F3NO2/c10-9(11,12)5-1-2-7-6(3-5)13-8(14)4-15-7/h1-3H,4H2,(H,13,14)
InChIKey LRZVYXWBGNCLDB-UHFFFAOYSA-N
Mol Weight 217.15 g/mol
Molecular Formula C9H6F3NO2
Exact Mass 217.035063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PSNd4OYZ3l
Name 6-(Trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one
Alternate Name(s) 2H-1,4-Benzoxazin-3(4H)-one, 6-trifluoromethyl- 6-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
CAS Registry Number 189940-04-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6F3NO2
InChI InChI=1S/C9H6F3NO2/c10-9(11,12)5-1-2-7-6(3-5)13-8(14)4-15-7/h1-3H,4H2,(H,13,14)
InChIKey LRZVYXWBGNCLDB-UHFFFAOYSA-N
Molecular Weight 217.147 g/mol
SMILES N1C(COc2ccc(cc12)C(F)(F)F)=O
SPLASH splash10-00kr-5940000000-f09178039af70a5cbf87
Wiley ID 1455891