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Valeric acid, 4-cyanophenyl ester
SpectraBase Compound ID AmgNRJrmtsY
InChI InChI=1S/C12H13NO2/c1-2-3-4-12(14)15-11-7-5-10(9-13)6-8-11/h5-8H,2-4H2,1H3
InChIKey MMIDKFMIMXKQFT-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQf4viRgHEG
Name Valeric acid, 4-cyanophenyl ester
Alternate Name(s) Pentanoic acid (4-cyanophenyl) ester (4-cyanophenyl) pentanoate
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Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-2-3-4-12(14)15-11-7-5-10(9-13)6-8-11/h5-8H,2-4H2,1H3
InChIKey MMIDKFMIMXKQFT-UHFFFAOYSA-N
Molecular Weight 203.241 g/mol
SMILES CCCCC(Oc1ccc(C#N)cc1)=O
SPLASH splash10-052r-9000000000-7849279af1369c752ab3
Source of Spectrum NP-4-2583-0
Wiley ID 1103792