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2-(2-furylmethyl)-3-oxo-3-phenylpropanenitrile
SpectraBase Compound ID LwG0hP3iQIf
InChI InChI=1S/C14H11NO2/c15-10-12(9-13-7-4-8-17-13)14(16)11-5-2-1-3-6-11/h1-8,12H,9H2
InChIKey LZUYEBNZAQOEPH-UHFFFAOYSA-N
Mol Weight 225.25 g/mol
Molecular Formula C14H11NO2
Exact Mass 225.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZ52fpsxsXG
Name 2-(2-furylmethyl)-3-oxo-3-phenylpropanenitrile
Appearance Yellow liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.078978596 u
Formula C14H11NO2
InChI InChI=1S/C14H11NO2/c15-10-12(9-13-7-4-8-17-13)14(16)11-5-2-1-3-6-11/h1-8,12H,9H2
InChIKey LZUYEBNZAQOEPH-UHFFFAOYSA-N
Instrument Name SHIMADZU GCMS-QP2010 and JEOL JMS-DX303HF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201605445
Molecular Weight 225.247 g/mol
Quality 119
Reported Formula C14H11NO2
SMILES C=1(OC=CC1)CC(C#N)C(C1=CC=CC=C1)=O
SPLASH splash10-0a6r-8900000000-4761ef9d69a361352854
Source of Spectrum ACI-55-SM20-2p (DOI: 10.1002/anie.201605445)
Wiley ID 1899116