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2-(3-Chlorophenyl)-5,5-dimethyl-4-oxo-4,5-dihydro-3-furancarbonitrile
SpectraBase Compound ID 9E5cPh78Rtw
InChI InChI=1S/C13H10ClNO2/c1-13(2)12(16)10(7-15)11(17-13)8-4-3-5-9(14)6-8/h3-6H,1-2H3
InChIKey HXUPIWLSPXYDPF-UHFFFAOYSA-N
Mol Weight 247.68 g/mol
Molecular Formula C13H10ClNO2
Exact Mass 247.040006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4iwLP6McYAl
Name 2-(3-Chlorophenyl)-5,5-dimethyl-4-oxo-4,5-dihydro-3-furancarbonitrile
Alternate Name(s) 2-(3-Chlorophenyl)-5,5-dimethyl-4-oxo-4,5-dihydrofuran-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10ClNO2
InChI InChI=1S/C13H10ClNO2/c1-13(2)12(16)10(7-15)11(17-13)8-4-3-5-9(14)6-8/h3-6H,1-2H3
InChIKey HXUPIWLSPXYDPF-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol1011532
Molecular Weight 247.681 g/mol
SMILES C1(C)(C(C(C#N)=C(O1)c1cccc(c1)Cl)=O)C
SPLASH splash10-03di-0920000000-d916138bcdcd5a8a66a8
Source of Spectrum A1-12-3200/SM6-17
Wiley ID 1752396