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4-[2-(1-Methylethyl)-5-oxo-2,5-dihydrofuran-3-yl]benzonitrile
SpectraBase Compound ID KNqOACpmoGN
InChI InChI=1S/C14H13NO2/c1-9(2)14-12(7-13(16)17-14)11-5-3-10(8-15)4-6-11/h3-7,9,14H,1-2H3
InChIKey WLVOZNNSXIZMQM-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 9Bj1f1ZCTsm
Name 4-[2-(1-Methylethyl)-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(2)14-12(7-13(16)17-14)11-5-3-10(8-15)4-6-11/h3-7,9,14H,1-2H3
InChIKey WLVOZNNSXIZMQM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000159
Molecular Weight 227.263 g/mol
SMILES C(c1ccc(cc1)C=1C(OC(C1)=O)C(C)C)#N
SPLASH splash10-000i-0900000000-a5abade0b0d28eee1491
Source of Spectrum ASC-352-1307/SM29-4b
Synonyms 4-(2-isopropyl-5-oxo-2,5-dihydrofuran-3-yl)benzonitrile
Wiley ID 1764502