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4-(2,2,4-Trimethyl-5-oxo-2,5-dihydrofuran-3-yl)benzonitrile
SpectraBase Compound ID JSHOkPuK73s
InChI InChI=1S/C14H13NO2/c1-9-12(14(2,3)17-13(9)16)11-6-4-10(8-15)5-7-11/h4-7H,1-3H3
InChIKey LDNHXJRWFVBGST-UHFFFAOYSA-N
Mol Weight 227.26 g/mol
Molecular Formula C14H13NO2
Exact Mass 227.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D448yyQ5nSE
Name 4-(2,2,4-Trimethyl-5-oxo-2,5-dihydrofuran-3-yl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO2
InChI InChI=1S/C14H13NO2/c1-9-12(14(2,3)17-13(9)16)11-6-4-10(8-15)5-7-11/h4-7H,1-3H3
InChIKey LDNHXJRWFVBGST-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000159
Molecular Weight 227.263 g/mol
SMILES C(c1ccc(cc1)C=1C(OC(C1C)=O)(C)C)#N
SPLASH splash10-03ec-0970000000-8194523dfd489887850d
Source of Spectrum ASC-352-1307/SM31-4e
Wiley ID 1764504