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3-(6-Bromo-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-2-propenenitrile
SpectraBase Compound ID 241OdUJ4zcg
InChI InChI=1S/C18H14BrNO4/c1-21-15-4-3-11(6-16(15)22-2)13(9-20)5-12-7-17-18(8-14(12)19)24-10-23-17/h3-8H,10H2,1-2H3/b13-5+
InChIKey UUBQXNXHRAFBBD-WLRTZDKTSA-N
Mol Weight 388.22 g/mol
Molecular Formula C18H14BrNO4
Exact Mass 387.010621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AvW6bNeyRRQ
Name 3-(6-Bromo-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-2-propenenitrile
Alternate Name(s) (Z)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile (Z)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-2-propenenitrile (Z)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile (Z)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
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Formula C18H14BrNO4
InChI InChI=1S/C18H14BrNO4/c1-21-15-4-3-11(6-16(15)22-2)13(9-20)5-12-7-17-18(8-14(12)19)24-10-23-17/h3-8H,10H2,1-2H3/b13-5+
InChIKey UUBQXNXHRAFBBD-WLRTZDKTSA-N
Molecular Weight 388.217 g/mol
SMILES c1(\C(=C\c2c(cc3c(c2)OCO3)Br)C#N)cc(OC)c(cc1)OC
SPLASH splash10-056r-2893000000-7322517d72092779fad7
Wiley ID 1451955