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4-(2,4,5-Trimethylphenyl)-trans-3-buten-2-one 2,4-dinitrophenylhydrazone
SpectraBase Compound ID CkZ1sNxzs1W
InChI InChI=1S/C19H20N4O4/c1-12-9-14(3)16(10-13(12)2)6-5-15(4)20-21-18-8-7-17(22(24)25)11-19(18)23(26)27/h5-11,21H,1-4H3/b6-5+,20-15+
InChIKey LXZKARPWFQJPLP-DERPFNPXSA-N
Mol Weight 368.39 g/mol
Molecular Formula C19H20N4O4
Exact Mass 368.148455 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 23SriB1VgXs
Name 4-(2,4,5-Trimethylphenyl)-trans-3-buten-2-one 2,4-dinitrophenylhydrazone
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 368.148455136 u
Formula C19H20N4O4
InChI InChI=1S/C19H20N4O4/c1-12-9-14(3)16(10-13(12)2)6-5-15(4)20-21-18-8-7-17(22(24)25)11-19(18)23(26)27/h5-11,21H,1-4H3/b6-5+,20-15+
InChIKey LXZKARPWFQJPLP-DERPFNPXSA-N
Molecular Weight 368.393 g/mol
SMILES C1(=CC(=C(C=C1)N\N=C\(\C=C\C1=C(C=C(C)C(=C1)C)C)C)N(=O)=O)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91173