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3-(Chloroacetyl)-13,13-dimethyl-7-oxo-5,11b,12,13-tetrahydro-7H-isoindolo[2,1-b]-[2]-benzazpine
SpectraBase Compound ID H0VScm4XYAX
InChI InChI=1S/C21H20ClNO2/c1-21(2)10-18-15-5-3-4-6-16(15)20(25)23(18)12-14-9-13(19(24)11-22)7-8-17(14)21/h3-9,18H,10-12H2,1-2H3
InChIKey BKRURDQBQUTSKX-UHFFFAOYSA-N
Mol Weight 353.85 g/mol
Molecular Formula C21H20ClNO2
Exact Mass 353.118257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xK6o7sSPy3
Name 3-(Chloroacetyl)-13,13-dimethyl-7-oxo-5,11b,12,13-tetrahydro-7H-isoindolo[2,1-b]-[2]-benzazpine
Alternate Name(s) 3-(2-Chloro-1-oxoethyl)-13,13-dimethyl-11b,12-dihydro-5H-isoindolo[2,3-b][2]benzazepin-7-one 3-(2-Chloranylethanoyl)-13,13-dimethyl-11b,12-dihydro-5H-isoindolo[2,3-b][2]benzazepin-7-one
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Formula C21H20ClNO2
InChI InChI=1S/C21H20ClNO2/c1-21(2)10-18-15-5-3-4-6-16(15)20(25)23(18)12-14-9-13(19(24)11-22)7-8-17(14)21/h3-9,18H,10-12H2,1-2H3
InChIKey BKRURDQBQUTSKX-UHFFFAOYSA-N
Molecular Weight 353.849 g/mol
SMILES C1(N2C(c3ccccc13)CC(C)(C)c1c(C2)cc(C(=O)CCl)cc1)=O
SPLASH splash10-0udi-0309000000-28bf45c30628b76046d1
Source of Spectrum AJ-43-1494-35
Wiley ID 1594380