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2-furanglycolonitrile, benzoate
SpectraBase Compound ID 6Ixxo85yS2a
InChI InChI=1S/C13H9NO3/c14-9-12(11-7-4-8-16-11)17-13(15)10-5-2-1-3-6-10/h1-8,12H
InChIKey OGIYQXUBIZIXQA-UHFFFAOYSA-N
Mol Weight 227.22 g/mol
Molecular Formula C13H9NO3
Exact Mass 227.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42rHpyODYK5
Name Furyl(cyanomethyl) benzoate
Alternate Name(s) benzoic acid[cyano(2-furanyl)methyl]ester benzoic acid[cyano(2-furyl)methyl]ester [cyano(2-furyl)methyl]benzoate [cyano(furan-2-yl)methyl]benzoate benzoic acid [cyano(2-furanyl)methyl] ester [cyano(2-furyl)methyl] benzoate [cyano(furan-2-yl)methyl] benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C13H9NO3
InChI InChI=1S/C13H9NO3/c14-9-12(11-7-4-8-16-11)17-13(15)10-5-2-1-3-6-10/h1-8,12H
InChIKey OGIYQXUBIZIXQA-UHFFFAOYSA-N
Molecular Weight 227.219 g/mol
SMILES C(OC(c1occc1)C#N)(=O)c1ccccc1
SPLASH splash10-0a4i-0920000000-0af463cae5af34746a7c
Source of Spectrum SO-0-1189-3
Wiley ID 873953