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3-(4-acetylphenyl)-3-hydroxypropanenitrile
SpectraBase Compound ID 2wrrz8T1EDL
InChI InChI=1S/C11H11NO2/c1-8(13)9-2-4-10(5-3-9)11(14)6-7-12/h2-5,11,14H,6H2,1H3
InChIKey CVMFHZXGQALESI-UHFFFAOYSA-N
Mol Weight 189.21 g/mol
Molecular Formula C11H11NO2
Exact Mass 189.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGNIoyufMhm
Name 3-(4-acetylphenyl)-3-hydroxypropanenitrile
Alternate Name(s) 3-(4-acetylphenyl)-3-hydroxy-propanenitrile 3-(4-Ethanoylphenyl)-3-oxidanyl-propanenitrile
CAS Registry Number 138785-91-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO2
InChI InChI=1S/C11H11NO2/c1-8(13)9-2-4-10(5-3-9)11(14)6-7-12/h2-5,11,14H,6H2,1H3
InChIKey CVMFHZXGQALESI-UHFFFAOYSA-N
Molecular Weight 189.214 g/mol
SMILES OC(c1ccc(cc1)C(=O)C)CC#N
SPLASH splash10-0005-4900000000-92ed6c4f5f78b1f9de05
Source of Spectrum K-125-904-13
Wiley ID 1185710