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3-hydroxy-2-methylene-5-phenylpentanenitrile
SpectraBase Compound ID J9lI0vHaFqN
InChI InChI=1S/C12H13NO/c1-10(9-13)12(14)8-7-11-5-3-2-4-6-11/h2-6,12,14H,1,7-8H2
InChIKey UNAGPFZAVDBPQP-UHFFFAOYSA-N
Mol Weight 187.24 g/mol
Molecular Formula C12H13NO
Exact Mass 187.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wSYosEiaZi
Name 3-hydroxy-2-methylene-5-phenylpentanenitrile
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO
InChI InChI=1S/C12H13NO/c1-10(9-13)12(14)8-7-11-5-3-2-4-6-11/h2-6,12,14H,1,7-8H2
InChIKey UNAGPFZAVDBPQP-UHFFFAOYSA-N
Instrument Name AGILENT 6890N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900888
Molecular Weight 187.242 g/mol
SMILES OC(C(C#N)=C)CCc1ccccc1
SPLASH splash10-0006-8900000000-934afc858dd8babd9fb3
Source of Spectrum U1-2020-SM6-A1
Thin-Layer Chromatography Rf = 0.25 (hexane/EtOAc, 80:20)
Wiley ID 1858808