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7-Chloro-2-hydroxy-3-trifluoroacetyl-2-trifluoromethyl-(1H,5)benzoxazepine
SpectraBase Compound ID 83qXGtUXjVq
InChI InChI=1S/C12H6ClF6NO3/c13-5-1-2-8-7(3-5)20-4-6(9(21)11(14,15)16)10(22,23-8)12(17,18)19/h1-4,20,22H
InChIKey KRRYLZIUDDBHHB-UHFFFAOYSA-N
Mol Weight 361.63 g/mol
Molecular Formula C12H6ClF6NO3
Exact Mass 360.99404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6yw1LDi1ts8
Name 7-Chloro-2-hydroxy-3-trifluoroacetyl-2-trifluoromethyl-(1H,5)benzoxazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6ClF6NO3
InChI InChI=1S/C12H6ClF6NO3/c13-5-1-2-8-7(3-5)20-4-6(9(21)11(14,15)16)10(22,23-8)12(17,18)19/h1-4,20,22H
InChIKey KRRYLZIUDDBHHB-UHFFFAOYSA-N
Molecular Weight 361.627 g/mol
SMILES N1c2c(OC(C(C(C(F)(F)F)=O)=C1)(C(F)(F)F)O)ccc(c2)Cl
SPLASH splash10-0w29-0924000000-7ab1f11889610bcb6480
Source of Spectrum F-53-5853-11
Synonyms 1-[7-chloro-2-hydroxy-2-(trifluoromethyl)-2,5-dihydro-1,5-benzoxazepin-3-yl]-2,2,2-trifluoroethanone
Wiley ID 801772