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5,5-Dimethyl-4-oxo-2-phenyl-4,5-dihydro-3-furancarbonitrile
SpectraBase Compound ID Cq7qeHyrHFc
InChI InChI=1S/C13H11NO2/c1-13(2)12(15)10(8-14)11(16-13)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey QLXDLQMGDXIDIE-UHFFFAOYSA-N
Mol Weight 213.24 g/mol
Molecular Formula C13H11NO2
Exact Mass 213.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jw7Xl9MERPC
Name 5,5-Dimethyl-4-oxo-2-phenyl-4,5-dihydro-3-furancarbonitrile
Alternate Name(s) 5,5-Dimethyl-4-oxo-2-phenyl-4,5-dihydrofuran-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO2
InChI InChI=1S/C13H11NO2/c1-13(2)12(15)10(8-14)11(16-13)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey QLXDLQMGDXIDIE-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol1011532
Molecular Weight 213.236 g/mol
SMILES C1(C)(C(=O)C(C#N)=C(O1)c1ccccc1)C
SPLASH splash10-004i-9730000000-7a340a3e775e520f7aac
Source of Spectrum A1-12-3200/SM3-12
Wiley ID 1752391