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rac-[5-(4-Nitrophenyl)furan-2-yl]cyanomethylbutanoate
SpectraBase Compound ID EFZnV3Me7YQ
InChI InChI=1S/C16H14N2O5/c1-2-3-16(19)23-15(10-17)14-9-8-13(22-14)11-4-6-12(7-5-11)18(20)21/h4-9,15H,2-3H2,1H3
InChIKey HKSSELUOKATNBJ-UHFFFAOYSA-N
Mol Weight 314.3 g/mol
Molecular Formula C16H14N2O5
Exact Mass 314.090272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SmRIw4nY0
Name rac-[5-(4-Nitrophenyl)furan-2-yl]cyanomethylbutanoate
Alternate Name(s) cyano[5-(4-nitrophenyl)-2-furyl]methyl butyrate Butanoic acid [cyano-[5-(4-nitrophenyl)-2-furanyl]methyl] ester [cyano-[5-(4-nitrophenyl)-2-furyl]methyl] butanoate [cyano-[5-(4-nitrophenyl)furan-2-yl]methyl] butanoate
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Formula C16H14N2O5
InChI InChI=1S/C16H14N2O5/c1-2-3-16(19)23-15(10-17)14-9-8-13(22-14)11-4-6-12(7-5-11)18(20)21/h4-9,15H,2-3H2,1H3
InChIKey HKSSELUOKATNBJ-UHFFFAOYSA-N
Molecular Weight 314.297 g/mol
SMILES c1(N(=O)=O)ccc(-c2oc(C(C#N)OC(=O)CCC)cc2)cc1
SPLASH splash10-004i-0691000000-f28078c16b0fecc0f5bf
Source of Spectrum KD-14-1902-3
Wiley ID 1636095