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2-[4-bromanyl-2-(3-bromanyl-2-oxidanyl-propyl)-3-methoxy-6-nitro-phenyl]ethanenitrile
SpectraBase Compound ID 72vtfEboghp
InChI InChI=1S/C12H12Br2N2O4/c1-20-12-9(4-7(17)6-13)8(2-3-15)11(16(18)19)5-10(12)14/h5,7,17H,2,4,6H2,1H3
InChIKey CCPFKXGWHOTYHM-UHFFFAOYSA-N
Mol Weight 408.05 g/mol
Molecular Formula C12H12Br2N2O4
Exact Mass 405.916383 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZJ1h7BC82D
Name 2-[4-bromanyl-2-(3-bromanyl-2-oxidanyl-propyl)-3-methoxy-6-nitro-phenyl]ethanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12Br2N2O4
InChI InChI=1S/C12H12Br2N2O4/c1-20-12-9(4-7(17)6-13)8(2-3-15)11(16(18)19)5-10(12)14/h5,7,17H,2,4,6H2,1H3
InChIKey CCPFKXGWHOTYHM-UHFFFAOYSA-N
Molecular Weight 408.046 g/mol
SMILES OC(Cc1c(c(N(=O)=O)cc(c1OC)Br)CC#N)CBr
SPLASH splash10-015l-0090000000-f6cb5cca1ceacddcf3c6
Source of Spectrum F-53-211-41
Synonyms 2-[4-bromo-2-(3-bromo-2-hydroxy-propyl)-3-methoxy-6-nitro-phenyl]acetonitrile
Wiley ID 799854