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2-Acetoxy-3-methyl-2-phenylbutylmalonitrile
SpectraBase Compound ID GCB8FJ7cZ8w
InChI InChI=1S/C16H18N2O2/c1-11(2)16(20-12(3)19)15(14(9-17)10-18)13-7-5-4-6-8-13/h4-8,11,14-16H,1-3H3
InChIKey PJGBFIWOFWXESH-UHFFFAOYSA-N
Mol Weight 270.33 g/mol
Molecular Formula C16H18N2O2
Exact Mass 270.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Z4OenOQmMf
Name 2-Acetoxy-3-methyl-2-phenylbutylmalonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C16H18N2O2
InChI InChI=1S/C16H18N2O2/c1-11(2)16(20-12(3)19)15(14(9-17)10-18)13-7-5-4-6-8-13/h4-8,11,14-16H,1-3H3
InChIKey PJGBFIWOFWXESH-UHFFFAOYSA-N
Molecular Weight 270.332 g/mol
SMILES C(C(C(C#N)C#N)c1ccccc1)(OC(=O)C)C(C)C
SPLASH splash10-0006-9000000000-9c6bec9272a008816377
Source of Spectrum J-58-596-20
Synonyms 3,3-dicyano-1-isopropyl-1-phenylpropyl acetate acetic acid (1,1-dicyano-4-methyl-2-phenylpentan-3-yl) ester (1,1-dicyano-4-methyl-2-phenylpentan-3-yl) acetate (3,3-dicyano-1-isopropyl-2-phenyl-propyl) acetate (1,1-dicyano-4-methyl-2-phenyl-pentan-3-yl) ethanoate
Wiley ID 1274446