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(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

View entire compound with spectra: 1 MS (GC)

(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
SpectraBase Compound ID 5lElybLYcmG
InChI InChI=1S/C18H12BrN3O2/c1-10-2-3-14-15(4-10)22-18(21-14)12(8-20)5-11-6-16-17(7-13(11)19)24-9-23-16/h2-7H,9H2,1H3,(H,21,22)/b12-5+
InChIKey QBAHDSKTCKVARG-LFYBBSHMSA-N
Mol Weight 382.22 g/mol
Molecular Formula C18H12BrN3O2
Exact Mass 381.01129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jwexcXH6Hf
Name (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Alternate Name(s) (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
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Formula C18H12BrN3O2
InChI InChI=1S/C18H12BrN3O2/c1-10-2-3-14-15(4-10)22-18(21-14)12(8-20)5-11-6-16-17(7-13(11)19)24-9-23-16/h2-7H,9H2,1H3,(H,21,22)/b12-5+
InChIKey QBAHDSKTCKVARG-LFYBBSHMSA-N
Molecular Weight 382.217 g/mol
SMILES [nH]1c2ccc(cc2nc1\C(=C\c1c(cc2c(c1)OCO2)Br)C#N)C
SPLASH splash10-0udi-0059000000-55f8102c0cb7deb1acf8
Wiley ID 1452664