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3-(3,4-dicyanophenyl)propanoic acid

View entire compound with spectra: 1 MS (GC)

3-(3,4-dicyanophenyl)propanoic acid
SpectraBase Compound ID CITfzBD08Rt
InChI InChI=1S/C11H8N2O2/c12-6-9-3-1-8(2-4-11(14)15)5-10(9)7-13/h1,3,5H,2,4H2,(H,14,15)
InChIKey YBJRQADQRPESRH-UHFFFAOYSA-N
Mol Weight 200.2 g/mol
Molecular Formula C11H8N2O2
Exact Mass 200.058578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAT9BWo528C
Name 3-(3,4-dicyanophenyl)propanoic acid
Alternate Name(s) 3-(3,4-dicyanophenyl)propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N2O2
InChI InChI=1S/C11H8N2O2/c12-6-9-3-1-8(2-4-11(14)15)5-10(9)7-13/h1,3,5H,2,4H2,(H,14,15)
InChIKey YBJRQADQRPESRH-UHFFFAOYSA-N
Molecular Weight 200.197 g/mol
SMILES OC(CCc1cc(C#N)c(C#N)cc1)=O
SPLASH splash10-0f6x-0900000000-e6290b9dee12ac2506ec
Source of Spectrum D1-1993-352-1
Wiley ID 834511