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1-piperazineacetic acid, 4-(phenylmethyl)-, 2-[(E)-[4-(trifluoromethyl)phenyl]methylidene]hydrazide
SpectraBase Compound ID LThZa71YJz9
InChI InChI=1S/C21H23F3N4O/c22-21(23,24)19-8-6-17(7-9-19)14-25-26-20(29)16-28-12-10-27(11-13-28)15-18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2,(H,26,29)/b25-14+
InChIKey VMQJJDRRNOKPMI-AFUMVMLFSA-N
Mol Weight 404.44 g/mol
Molecular Formula C21H23F3N4O
Exact Mass 404.182396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3jbTrrtGVDk
Name 1-Piperazineacetic acid, 4-(phenylmethyl)-, 2-[(E)-[4-(trifluoromethyl)phenyl]methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 404.182395865 u
Formula C21H23F3N4O
InChI InChI=1S/C21H23F3N4O/c22-21(23,24)19-8-6-17(7-9-19)14-25-26-20(29)16-28-12-10-27(11-13-28)15-18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2,(H,26,29)/b25-14+
InChIKey VMQJJDRRNOKPMI-AFUMVMLFSA-N
Molecular Weight 404.437 g/mol
SMILES N(C(CN1CCN(CC1)CC=1C=CC=CC1)=O)\N=C\C1=CC=C(C(F)(F)F)C=C1