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3-Buten-2-one, 4-(4-chlorophenyl)-, (2,4-dinitrophenyl)hydrazone
SpectraBase Compound ID 6cglLCJFYfL
InChI InChI=1S/C16H13ClN4O4/c1-11(2-3-12-4-6-13(17)7-5-12)18-19-15-9-8-14(20(22)23)10-16(15)21(24)25/h2-10,19H,1H3/b3-2+,18-11+
InChIKey YRJYGJCXCZJVQY-GDYXNBAZSA-N
Mol Weight 360.76 g/mol
Molecular Formula C16H13ClN4O4
Exact Mass 360.062533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F34cRgI1kO5
Name 3-Buten-2-one, 4-(4-chlorophenyl)-, (2,4-dinitrophenyl)hydrazone
Alternate Name(s) (2E,3E)-4-(4-chlorophenyl)-3-buten-2-one (2,4-dinitrophenyl)hydrazone 1-(p-chlorophenyl)-3-methyl-3-(2,4-dinitrophenyl-hydrozono)-1-propene
CAS Registry Number 113685-69-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13ClN4O4
InChI InChI=1S/C16H13ClN4O4/c1-11(2-3-12-4-6-13(17)7-5-12)18-19-15-9-8-14(20(22)23)10-16(15)21(24)25/h2-10,19H,1H3/b3-2+,18-11+
InChIKey YRJYGJCXCZJVQY-GDYXNBAZSA-N
Molecular Weight 360.757 g/mol
SMILES N(c1c(N(=O)=O)cc(N(=O)=O)cc1)\N=C\(\C=C\c1ccc(cc1)Cl)C
SPLASH splash10-03di-0009000000-81d6620204e5850f39a0
Source of Spectrum J-53-1978-2
Wiley ID 1348065