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(2R,4S)-4-hydroxy-2-isopropyl-2-phenyl-valeronitrile
SpectraBase Compound ID KDY5nOcIy4O
InChI InChI=1S/C14H19NO/c1-11(2)14(10-15,9-12(3)16)13-7-5-4-6-8-13/h4-8,11-12,16H,9H2,1-3H3/t12-,14+/m0/s1
InChIKey UAZHMCNMOANLKS-GXTWGEPZSA-N
Mol Weight 217.31 g/mol
Molecular Formula C14H19NO
Exact Mass 217.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AjFCx5YEbe
Name (2R,4S)-4-hydroxy-2-isopropyl-2-phenyl-valeronitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19NO
InChI InChI=1S/C14H19NO/c1-11(2)14(10-15,9-12(3)16)13-7-5-4-6-8-13/h4-8,11-12,16H,9H2,1-3H3/t12-,14+/m0/s1
InChIKey UAZHMCNMOANLKS-GXTWGEPZSA-N
Molecular Weight 217.312 g/mol
SMILES O[C@](C[C@](C#N)(c1ccccc1)C(C)C)(C)[H]
SPLASH splash10-001i-0910000000-34e7b09190c59c38396c
Source of Spectrum CV-2005-1154-12
Synonyms (2R,4S)-4-hydroxy-2-phenyl-2-propan-2-ylpentanenitrile (2R,4S)-4-oxidanyl-2-phenyl-2-propan-2-yl-pentanenitrile
Wiley ID 1611663