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2-Methylpropyl 7-bromanyl-2-oxidanylidene-5-phenyl-3,5-dihydro-1,4-benzoxazepine-4-carboxylate
SpectraBase Compound ID F9g6zKRU33G
InChI InChI=1S/C20H20BrNO4/c1-13(2)12-25-20(24)22-11-18(23)26-17-9-8-15(21)10-16(17)19(22)14-6-4-3-5-7-14/h3-10,13,19H,11-12H2,1-2H3
InChIKey RZRLVRDBMLBGSI-UHFFFAOYSA-N
Mol Weight 418.29 g/mol
Molecular Formula C20H20BrNO4
Exact Mass 417.057571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JLTNAV3UVh8
Name 2-Methylpropyl 7-bromanyl-2-oxidanylidene-5-phenyl-3,5-dihydro-1,4-benzoxazepine-4-carboxylate
Alternate Name(s) 2-Methylpropyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1,4-benzoxazepine-4-carboxylate 7-Bromo-2-keto-5-phenyl-3,5-dihydro-1,4-benzoxazepine-4-carboxylic acid isobutyl ester 7-Bromo-2-oxo-5-phenyl-3,5-dihydro-1,4-benzoxazepine-4-carboxylic acid 2-methylpropyl ester isobutyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1,4-benzoxazepine-4-carboxylate
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Formula C20H20BrNO4
InChI InChI=1S/C20H20BrNO4/c1-13(2)12-25-20(24)22-11-18(23)26-17-9-8-15(21)10-16(17)19(22)14-6-4-3-5-7-14/h3-10,13,19H,11-12H2,1-2H3
InChIKey RZRLVRDBMLBGSI-UHFFFAOYSA-N
Molecular Weight 418.287 g/mol
SMILES c1ccc(C2c3c(ccc(c3)Br)OC(CN2C(OCC(C)C)=O)=O)cc1
SPLASH splash10-014i-4589400000-9fc7d9d3eee607fca376
Wiley ID 1457735