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3-Hydroxy-2,2-dimethyl-3-phenylpentanenitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Hydroxy-2,2-dimethyl-3-phenylpentanenitrile
SpectraBase Compound ID AH4LWRNZxh
InChI InChI=1S/C13H17NO/c1-4-13(15,12(2,3)10-14)11-8-6-5-7-9-11/h5-9,15H,4H2,1-3H3
InChIKey PIVKODMDBLLGKP-UHFFFAOYSA-N
Mol Weight 203.28 g/mol
Molecular Formula C13H17NO
Exact Mass 203.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdFvezFF6MI
Name 3-Hydroxy-2,2-dimethyl-3-phenylpentanenitrile
Alternate Name(s) 3-Hydroxy-2,2-dimethyl-3-phenyl-pentanenitrile 2,2-Dimethyl-3-oxidanyl-3-phenyl-pentanenitrile
CAS Registry Number 138902-41-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO
InChI InChI=1S/C13H17NO/c1-4-13(15,12(2,3)10-14)11-8-6-5-7-9-11/h5-9,15H,4H2,1-3H3
InChIKey PIVKODMDBLLGKP-UHFFFAOYSA-N
Molecular Weight 203.285 g/mol
SMILES OC(C(C#N)(C)C)(c1ccccc1)CC
SPLASH splash10-052r-4900000000-5f43abef33d997a9f166
Source of Spectrum K-125-912-17
Wiley ID 1201025