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beta-alanine, 3-oxo-N-[3-(trifluoromethyl)phenyl]-, 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazide
SpectraBase Compound ID Ds5pjbOO6za
InChI InChI=1S/C18H16F3N3O4/c1-28-15-7-11(5-6-14(15)25)10-22-24-17(27)9-16(26)23-13-4-2-3-12(8-13)18(19,20)21/h2-8,10,25H,9H2,1H3,(H,23,26)(H,24,27)/b22-10+
InChIKey YQVGDZOWRFCDBA-LSHDLFTRSA-N
Mol Weight 395.34 g/mol
Molecular Formula C18H16F3N3O4
Exact Mass 395.10929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5uJKc84ju3H
Name beta-Alanine, 3-oxo-N-[3-(trifluoromethyl)phenyl]-, 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 395.109290492 u
Formula C18H16F3N3O4
InChI InChI=1S/C18H16F3N3O4/c1-28-15-7-11(5-6-14(15)25)10-22-24-17(27)9-16(26)23-13-4-2-3-12(8-13)18(19,20)21/h2-8,10,25H,9H2,1H3,(H,23,26)(H,24,27)/b22-10+
InChIKey YQVGDZOWRFCDBA-LSHDLFTRSA-N
Molecular Weight 395.338 g/mol
SMILES N(C(CC(N\N=C\C1=CC=C(C(=C1)OC)O)=O)=O)C1=CC(C(F)(F)F)=CC=C1