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4-[2-(6-chloropyridin-3-yl)-1-hydroxyethyl]benzonitrile
SpectraBase Compound ID 5vap1dj250x
InChI InChI=1S/C14H11ClN2O/c15-14-6-3-11(9-17-14)7-13(18)12-4-1-10(8-16)2-5-12/h1-6,9,13,18H,7H2
InChIKey BKRWZMWSRBXVOW-UHFFFAOYSA-N
Mol Weight 258.71 g/mol
Molecular Formula C14H11ClN2O
Exact Mass 258.055991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YBEDPUhYow
Name 4-[2-(6-chloropyridin-3-yl)-1-hydroxyethyl]benzonitrile
Alternate Name(s) 4-(2-(6-chloropyridin-3-yl)-1-hydroxyethyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11ClN2O
InChI InChI=1S/C14H11ClN2O/c15-14-6-3-11(9-17-14)7-13(18)12-4-1-10(8-16)2-5-12/h1-6,9,13,18H,7H2
InChIKey BKRWZMWSRBXVOW-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol500790p
Molecular Weight 258.708 g/mol
SMILES OC(Cc1cnc(cc1)Cl)c1ccc(cc1)C#N
SPLASH splash10-004i-2900000000-8d68af6511c04a984545
Source of Spectrum A1-16-2422/SM24-5d
Wiley ID 1749460