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Benzeneacetonitrile, .alpha.-[[5-(4-nitrophenyl)-2-furanyl]methylene]-
SpectraBase Compound ID 2LuSWwvAxh1
InChI InChI=1S/C19H12N2O3/c20-13-16(14-4-2-1-3-5-14)12-18-10-11-19(24-18)15-6-8-17(9-7-15)21(22)23/h1-12H/b16-12+
InChIKey FTIRALXFEHSHDR-FOWTUZBSSA-N
Mol Weight 316.32 g/mol
Molecular Formula C19H12N2O3
Exact Mass 316.084792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KY61a4yrDZa
Name Benzeneacetonitrile, .alpha.-[[5-(4-nitrophenyl)-2-furanyl]methylene]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.084792251 u
Formula C19H12N2O3
InChI InChI=1S/C19H12N2O3/c20-13-16(14-4-2-1-3-5-14)12-18-10-11-19(24-18)15-6-8-17(9-7-15)21(22)23/h1-12H/b16-12+
InChIKey FTIRALXFEHSHDR-FOWTUZBSSA-N
Molecular Weight 316.316 g/mol
SMILES C=1C=CC(\C(=C\C=2OC(C=3C=CC(N(=O)=O)=CC3)=CC2)C#N)=CC1