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Methyl 3-Cyanobicyclo[1.1.1]pentane-1-carboxylate
SpectraBase Compound ID IuqpQZeLTYP
InChI InChI=1S/C8H9NO2/c1-11-6(10)8-2-7(3-8,4-8)5-9/h2-4H2,1H3
InChIKey WHDZIHLWBZWJMI-UHFFFAOYSA-N
Mol Weight 151.16 g/mol
Molecular Formula C8H9NO2
Exact Mass 151.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2b84w4Z5s3k
Name Methyl 3-Cyanobicyclo[1.1.1]pentane-1-carboxylate
Alternate Name(s) 1-cyano-3-bicyclo[1.1.1]pentanecarboxylic acid methyl ester Methyl 1-cyanobicyclo[1.1.1]pentane-3-carboxylate
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Formula C8H9NO2
InChI InChI=1S/C8H9NO2/c1-11-6(10)8-2-7(3-8,4-8)5-9/h2-4H2,1H3
InChIKey WHDZIHLWBZWJMI-UHFFFAOYSA-N
Molecular Weight 151.165 g/mol
SMILES C12(C(=O)OC)CC(C2)(C#N)C1
SPLASH splash10-01bc-9200000000-8785c9cff6b66d5b959c
Source of Spectrum J-59-2994-51
Wiley ID 1148193