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beta-alanine, 3-oxo-N-[3-(trifluoromethyl)phenyl]-, 2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]hydrazide
SpectraBase Compound ID 2RaUzOJr7jv
InChI InChI=1S/C18H16F3N3O4/c1-28-14-7-2-4-11(17(14)27)10-22-24-16(26)9-15(25)23-13-6-3-5-12(8-13)18(19,20)21/h2-8,10,27H,9H2,1H3,(H,23,25)(H,24,26)/b22-10+
InChIKey IWBIXXURESOYAV-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 6D1ZeSLNMbQ
Name beta-Alanine, 3-oxo-N-[3-(trifluoromethyl)phenyl]-, 2-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.109290492 u
Formula C18H16F3N3O4
InChI InChI=1S/C18H16F3N3O4/c1-28-14-7-2-4-11(17(14)27)10-22-24-16(26)9-15(25)23-13-6-3-5-12(8-13)18(19,20)21/h2-8,10,27H,9H2,1H3,(H,23,25)(H,24,26)/b22-10+
InChIKey IWBIXXURESOYAV-LSHDLFTRSA-N
Molecular Weight 395.338 g/mol
SMILES N(C(CC(N\N=C\C=1C(=C(C=CC1)OC)O)=O)=O)C1=CC(C(F)(F)F)=CC=C1