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(S)-Methyl 2-Amino-3-(4'-cyano-6-hydroxybiphenyl-3-yl)propanoate
SpectraBase Compound ID IKQ8JuBBaEA
InChI InChI=1S/C17H16N2O3/c1-22-17(21)15(19)9-12-4-7-16(20)14(8-12)13-5-2-11(10-18)3-6-13/h2-8,15,20H,9,19H2,1H3/t15-/m0/s1
InChIKey HCTHCFLOIGDYSP-HNNXBMFYSA-N
Mol Weight 296.33 g/mol
Molecular Formula C17H16N2O3
Exact Mass 296.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9Y1KH71FCm
Name (S)-Methyl 2-Amino-3-(4'-cyano-6-hydroxybiphenyl-3-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2O3
InChI InChI=1S/C17H16N2O3/c1-22-17(21)15(19)9-12-4-7-16(20)14(8-12)13-5-2-11(10-18)3-6-13/h2-8,15,20H,9,19H2,1H3/t15-/m0/s1
InChIKey HCTHCFLOIGDYSP-HNNXBMFYSA-N
Ionization Type EI
Molecular Weight 296.326 g/mol
SMILES N[C@@](Cc1ccc(c(c1)-c1ccc(cc1)C#N)O)(C(=O)OC)[H]
SPLASH splash10-0a4r-3090000000-06277427ec64a7ee0c73
Source of Spectrum WO2010112211A1
Wiley ID 1844251