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4-(1-Hydroxy-3-phenyl-2-propynyl)benzonitrile
SpectraBase Compound ID LSQMvX7mTD3
InChI InChI=1S/C16H11NO/c17-12-14-6-9-15(10-7-14)16(18)11-8-13-4-2-1-3-5-13/h1-7,9-10,16,18H
InChIKey YCDARZSJNGZIOI-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C16H11NO
Exact Mass 233.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xCZhF0oElH
Name 4-(1-Hydroxy-3-phenyl-2-propynyl)benzonitrile
Alternate Name(s) 4-(1-hydroxy-3-phenyl-prop-2-ynyl)benzonitrile 4-(1-oxidanyl-3-phenyl-prop-2-ynyl)benzenecarbonitrile Benzonitrile, 4-(1-hydroxy-3-phenyl-2-propynyl)-
CAS Registry Number 108946-36-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11NO
InChI InChI=1S/C16H11NO/c17-12-14-6-9-15(10-7-14)16(18)11-8-13-4-2-1-3-5-13/h1-7,9-10,16,18H
InChIKey YCDARZSJNGZIOI-UHFFFAOYSA-N
Molecular Weight 233.270 g/mol
SMILES OC(C#Cc1ccccc1)c1ccc(C#N)cc1
SPLASH splash10-0ue9-3920000000-1029de6abb1e0881f5bc
Source of Spectrum QB-17-384-20
Wiley ID 841668