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3-(1,3-butadienyl)-2-methyl-2-cyclohexen-1-one 2,4-dinitrophenylhydrazone
SpectraBase Compound ID GZlVnS38dNq
InChI InChI=1S/C17H18N4O4/c1-3-4-6-13-7-5-8-15(12(13)2)18-19-16-10-9-14(20(22)23)11-17(16)21(24)25/h3-4,6,9-11,19H,1,5,7-8H2,2H3/b6-4+,18-15+
InChIKey ZXZTYTBXBDSUKF-IYRYMCANSA-N
Mol Weight 342.36 g/mol
Molecular Formula C17H18N4O4
Exact Mass 342.132805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FuOttK5ZSl9
Name 3-(1,3-butadienyl)-2-methyl-2-cyclohexen-1-one 2,4-dinitrophenylhydrazone
Alternate Name(s) (1E)-3-[(1E)-1,3-butadienyl]-2-methyl-2-cyclohexen-1-one (2,4-dinitrophenyl)hydrazone
CAS Registry Number 124267-48-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N4O4
InChI InChI=1S/C17H18N4O4/c1-3-4-6-13-7-5-8-15(12(13)2)18-19-16-10-9-14(20(22)23)11-17(16)21(24)25/h3-4,6,9-11,19H,1,5,7-8H2,2H3/b6-4+,18-15+
InChIKey ZXZTYTBXBDSUKF-IYRYMCANSA-N
Molecular Weight 342.355 g/mol
SMILES N(\N=C\1C(=C(\C=C\C=C)CCC1)C)c1c(N(=O)=O)cc(N(=O)=O)cc1
SPLASH splash10-0006-9103000000-b239b2b83b327ca96089
Source of Spectrum J-55-974-8
Wiley ID 1336381