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6-Bromo-3-(hydroxyimino)-5-methoxy-8-nitro-1,2,3,4-tetrahydro-1-naphthalenecarbonitrile isomer
SpectraBase Compound ID 4CFxwNl3l5o
InChI InChI=1S/C12H10BrN3O4/c1-20-12-8-3-7(15-17)2-6(5-14)11(8)10(16(18)19)4-9(12)13/h4,6,17H,2-3H2,1H3/b15-7-
InChIKey OAXTVVQRRYTQNP-CHHVJCJISA-N
Mol Weight 340.13 g/mol
Molecular Formula C12H10BrN3O4
Exact Mass 338.985469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZMd1Ww70Js
Name 6-Bromo-3-(hydroxyimino)-5-methoxy-8-nitro-1,2,3,4-tetrahydro-1-naphthalenecarbonitrile isomer
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Formula C12H10BrN3O4
InChI InChI=1S/C12H10BrN3O4/c1-20-12-8-3-7(15-17)2-6(5-14)11(8)10(16(18)19)4-9(12)13/h4,6,17H,2-3H2,1H3/b15-7-
InChIKey OAXTVVQRRYTQNP-CHHVJCJISA-N
Molecular Weight 340.133 g/mol
SMILES O\N=C\1CC(c2c(N(=O)=O)cc(c(OC)c2C1)Br)C#N
SPLASH splash10-029e-0489000000-480399597e6eb22d2363
Source of Spectrum F-53-212-45
Wiley ID 799849