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3-[2-cyanoethyl(phenyl)amino]propanoic acid
SpectraBase Compound ID 1xMXMDGOyD9
InChI InChI=1S/C12H14N2O2/c13-8-4-9-14(10-7-12(15)16)11-5-2-1-3-6-11/h1-3,5-6H,4,7,9-10H2,(H,15,16)
InChIKey MYXTYDCZSPMSHW-UHFFFAOYSA-N
Mol Weight 218.26 g/mol
Molecular Formula C12H14N2O2
Exact Mass 218.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVpv1y4B0eF
Name 3-[2-cyanoethyl(phenyl)amino]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O2
InChI InChI=1S/C12H14N2O2/c13-8-4-9-14(10-7-12(15)16)11-5-2-1-3-6-11/h1-3,5-6H,4,7,9-10H2,(H,15,16)
InChIKey MYXTYDCZSPMSHW-UHFFFAOYSA-N
Molecular Weight 218.256 g/mol
SMILES OC(CCN(CCC#N)c1ccccc1)=O
SPLASH splash10-056r-1900000000-af3fb8a50bf118b38224
Source of Spectrum KC-0-3203-5
Synonyms 3-[N-(2-cyanoethyl)anilino]propanoic acid 3-[N-(2-cyanoethyl)anilino]propionic acid
Wiley ID 823836