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[ALPHA-(2,4,6-TRIMETHYL-7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YLOXY)-BENZYLIDENE]-PROPANEDINITRILE
SpectraBase Compound ID 3Lsw8Yip5ew
InChI InChI=1S/C20H16N2O2/c1-13-9-14(2)18(23)19(15(3)10-13)24-20(17(11-21)12-22)16-7-5-4-6-8-16/h4-10H,1-3H3
InChIKey NPTUEIWGERHOCZ-UHFFFAOYSA-N
Mol Weight 316.36 g/mol
Molecular Formula C20H16N2O2
Exact Mass 316.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ei7kZeCto4N
Name 2-[(7-keto-2,4,6-trimethyl-cyclohepta-1,3,5-trien-1-yl)oxy-phenyl-methylene]malononitrile
CAS Registry Number 107129-17-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N2O2
InChI InChI=1S/C20H16N2O2/c1-13-9-14(2)18(23)19(15(3)10-13)24-20(17(11-21)12-22)16-7-5-4-6-8-16/h4-10H,1-3H3
InChIKey NPTUEIWGERHOCZ-UHFFFAOYSA-N
Molecular Weight 316.360 g/mol
SMILES C=1(C(C(=CC(=CC1C)C)C)=O)OC(=C(C#N)C#N)c1ccccc1
SPLASH splash10-0ufr-5009000000-be3b88d4939ea39a4c2c
Source of Spectrum K-122-663-10
Synonyms 2-[phenyl-(2,4,6-trimethyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl)oxy-methylidene]propanedinitrile 2-[phenyl-(2,4,6-trimethyl-7-oxo-cyclohepta-1,3,5-trien-1-yl)oxy-methylene]propanedinitrile 2-[phenyl-(2,4,6-trimethyl-7-oxocyclohepta-1,3,5-trien-1-yl)oxymethylidene]propanedinitrile 2-[phenyl-[(2,4,6-trimethyl-7-oxo-1-cyclohepta-1,3,5-trienyl)oxy]methylidene]propanedinitrile
Wiley ID 1316993