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(2E)-N-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-2-propenamide

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(2E)-N-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-2-propenamide
SpectraBase Compound ID HdNa16hddue
InChI InChI=1S/C16H12BrNO3/c17-12-4-1-11(2-5-12)3-8-16(19)18-13-6-7-14-15(9-13)21-10-20-14/h1-9H,10H2,(H,18,19)/b8-3+
InChIKey UEEJYCXGENGNAP-FPYGCLRLSA-N
Mol Weight 346.18 g/mol
Molecular Formula C16H12BrNO3
Exact Mass 345.000056 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQ2x4e02Sgq
Name (2E)-N-(1,3-Benzodioxol-5-yl)-3-(4-bromophenyl)-2-propenamide
Comments Computed using HOSE algorithm
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Exact Mass 345.000056247 u
Formula C16H12BrNO3
InChI InChI=1S/C16H12BrNO3/c17-12-4-1-11(2-5-12)3-8-16(19)18-13-6-7-14-15(9-13)21-10-20-14/h1-9H,10H2,(H,18,19)/b8-3+
InChIKey UEEJYCXGENGNAP-FPYGCLRLSA-N
Molecular Weight 346.180 g/mol
SMILES N(C(\C=C\C=1C=CC(=CC1)Br)=O)C=1C=C2C(OCO2)=CC1