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3-[(1E)-3-Hydroxy-2-methyl-3-phenylprop-1-en-1-yl]benzonitrile
SpectraBase Compound ID EDQDpXuXoae
InChI InChI=1S/C17H15NO/c1-13(17(19)16-8-3-2-4-9-16)10-14-6-5-7-15(11-14)12-18/h2-11,17,19H,1H3/b13-10+
InChIKey JSIYPXNBGVKBGX-JLHYYAGUSA-N
Mol Weight 249.31 g/mol
Molecular Formula C17H15NO
Exact Mass 249.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IkcEUVXjnF5
Name 3-[(1E)-3-Hydroxy-2-methyl-3-phenylprop-1-en-1-yl]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15NO
InChI InChI=1S/C17H15NO/c1-13(17(19)16-8-3-2-4-9-16)10-14-6-5-7-15(11-14)12-18/h2-11,17,19H,1H3/b13-10+
InChIKey JSIYPXNBGVKBGX-JLHYYAGUSA-N
Literature Reference DOI 10.1021/jo100275q
Molecular Weight 249.313 g/mol
SMILES OC(c1ccccc1)\C(C)=C\c1cccc(c1)C#N
SPLASH splash10-0a4i-2930000000-69b0dca622e98f4ff71e
Source of Spectrum J-75-4716/SMS40-6s
Synonyms (E)-3-(3-hydroxy-2-methyl-3-phenylprop-1-en-1-yl)benzonitrile 3-[(E)-3-hydroxy-2-methyl-3-phenylprop-1-enyl]benzonitrile 3-[(E)-2-methyl-3-oxidanyl-3-phenyl-prop-1-enyl]benzenecarbonitrile
Wiley ID 1751572