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3-Hydroxy-2,2-dimethyl-3-phenylheptanenitrile

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

3-Hydroxy-2,2-dimethyl-3-phenylheptanenitrile
SpectraBase Compound ID J1xJKsU6pEU
InChI InChI=1S/C15H21NO/c1-4-5-11-15(17,14(2,3)12-16)13-9-7-6-8-10-13/h6-10,17H,4-5,11H2,1-3H3
InChIKey KYPQDJGKFXXVAA-UHFFFAOYSA-N
Mol Weight 231.34 g/mol
Molecular Formula C15H21NO
Exact Mass 231.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJkmqHTn7Vo
Name 3-Hydroxy-2,2-dimethyl-3-phenylheptanenitrile
CAS Registry Number 138902-43-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO
InChI InChI=1S/C15H21NO/c1-4-5-11-15(17,14(2,3)12-16)13-9-7-6-8-10-13/h6-10,17H,4-5,11H2,1-3H3
InChIKey KYPQDJGKFXXVAA-UHFFFAOYSA-N
Molecular Weight 231.339 g/mol
SMILES OC(C(C#N)(C)C)(c1ccccc1)CCCC
SPLASH splash10-08fr-3900000000-108ed4bc7035b5698c83
Source of Spectrum K-125-912-18
Wiley ID 1233033