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1-piperazineacetic acid, 4-[(2-chlorophenyl)methyl]-, 2-[(E)-(3,4-dichlorophenyl)methylidene]hydrazide
SpectraBase Compound ID LIb3YH24Hlw
InChI InChI=1S/C20H21Cl3N4O/c21-17-4-2-1-3-16(17)13-26-7-9-27(10-8-26)14-20(28)25-24-12-15-5-6-18(22)19(23)11-15/h1-6,11-12H,7-10,13-14H2,(H,25,28)/b24-12+
InChIKey GQGHVPHSWNDLLH-WYMPLXKRSA-N
Mol Weight 439.77 g/mol
Molecular Formula C20H21Cl3N4O
Exact Mass 438.078094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GEnF3NLcndB
Name 1-Piperazineacetic acid, 4-[(2-chlorophenyl)methyl]-, 2-[(E)-(3,4-dichlorophenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 438.078094411 u
Formula C20H21Cl3N4O
InChI InChI=1S/C20H21Cl3N4O/c21-17-4-2-1-3-16(17)13-26-7-9-27(10-8-26)14-20(28)25-24-12-15-5-6-18(22)19(23)11-15/h1-6,11-12H,7-10,13-14H2,(H,25,28)/b24-12+
InChIKey GQGHVPHSWNDLLH-WYMPLXKRSA-N
Molecular Weight 439.774 g/mol
SMILES N(\N=C\C=1C=C(Cl)C(=CC1)Cl)C(CN1CCN(CC1)CC=1C(Cl)=CC=CC1)=O