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3-(4'-acetylphenyl)-3-hydroxy-2,2-dimethylpropanenitrile
SpectraBase Compound ID 9VaoxpC1r5A
InChI InChI=1S/C13H15NO2/c1-9(15)10-4-6-11(7-5-10)12(16)13(2,3)8-14/h4-7,12,16H,1-3H3
InChIKey NCOIEPGSELIPEW-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CV41Z58Lihn
Name 3-(4'-acetylphenyl)-3-hydroxy-2,2-dimethylpropanenitrile
CAS Registry Number 138785-92-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-9(15)10-4-6-11(7-5-10)12(16)13(2,3)8-14/h4-7,12,16H,1-3H3
InChIKey NCOIEPGSELIPEW-UHFFFAOYSA-N
Molecular Weight 217.268 g/mol
SMILES OC(C(C#N)(C)C)c1ccc(cc1)C(=O)C
SPLASH splash10-0kx1-7900000000-23dec1233b8218f2577f
Source of Spectrum K-125-904-13
Synonyms 3-(4-acetylphenyl)-3-hydroxy-2,2-dimethylpropanenitrile
Wiley ID 1216693