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3-Hydroxy-2,2-dimethyl-3-phenyl-pentanenitrile

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

3-Hydroxy-2,2-dimethyl-3-phenyl-pentanenitrile
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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cx1xVM1TcUC
Name 3-Hydroxy-2,2-dimethyl-3-phenylpentanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 203.131014170 u
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 C(#N)C(C(C=1C=CC=CC1)(O)CC)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964051