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2-pyridinecarboxylic acid, 2-[(E)-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylidene]hydrazide
SpectraBase Compound ID D8b65SalGU3
InChI InChI=1S/C21H27N3O2/c1-20(2,3)15-11-14(12-16(18(15)25)21(4,5)6)13-23-24-19(26)17-9-7-8-10-22-17/h7-13,25H,1-6H3,(H,24,26)/b23-13+
InChIKey UZSURYUEPGHCOB-YDZHTSKRSA-N
Mol Weight 353.47 g/mol
Molecular Formula C21H27N3O2
Exact Mass 353.210327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 76BLBTTOPgF
Name 2-Pyridinecarboxylic acid, 2-[(E)-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 353.210327119 u
Formula C21H27N3O2
InChI InChI=1S/C21H27N3O2/c1-20(2,3)15-11-14(12-16(18(15)25)21(4,5)6)13-23-24-19(26)17-9-7-8-10-22-17/h7-13,25H,1-6H3,(H,24,26)/b23-13+
InChIKey UZSURYUEPGHCOB-YDZHTSKRSA-N
Molecular Weight 353.466 g/mol
SMILES N(C(C1=NC=CC=C1)=O)\N=C\C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C