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1-(4-bromophenyl)-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzoxazepin-2-one
SpectraBase Compound ID EfdLcOVgsvX
InChI InChI=1S/C16H12BrN3O2/c17-11-5-7-12(8-6-11)19-16(21)18-15-9-10-22-14-4-2-1-3-13(14)20(15)19/h1-8H,9-10H2
InChIKey ZCFSMMDPWATXRQ-UHFFFAOYSA-N
Mol Weight 358.2 g/mol
Molecular Formula C16H12BrN3O2
Exact Mass 357.01129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59m4d9jrcXV
Name 1-(4-bromophenyl)-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzoxazepin-2-one
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Formula C16H12BrN3O2
InChI InChI=1S/C16H12BrN3O2/c17-11-5-7-12(8-6-11)19-16(21)18-15-9-10-22-14-4-2-1-3-13(14)20(15)19/h1-8H,9-10H2
InChIKey ZCFSMMDPWATXRQ-UHFFFAOYSA-N
Molecular Weight 358.195 g/mol
SMILES C1=2N(N(C(N2)=O)c2ccc(cc2)Br)c2c(OCC1)cccc2
SPLASH splash10-05fr-1915000000-a0f9a947ed08c9fed61a
Source of Spectrum MZ-34-1700-7
Wiley ID 1582274