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acetic acid, [(4,6-dimethyl-2-pyrimidinyl)thio]-, 2-[(E)-1-(4-methylphenyl)ethylidene]hydrazide
SpectraBase Compound ID 55ycJVqR2lO
InChI InChI=1S/C17H20N4OS/c1-11-5-7-15(8-6-11)14(4)20-21-16(22)10-23-17-18-12(2)9-13(3)19-17/h5-9H,10H2,1-4H3,(H,21,22)/b20-14+
InChIKey KSCXTKSIDLWMMJ-XSFVSMFZSA-N
Mol Weight 328.43 g/mol
Molecular Formula C17H20N4OS
Exact Mass 328.135782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8B6yX2Mu91g
Name Acetic acid, [(4,6-dimethyl-2-pyrimidinyl)thio]-, 2-[(E)-1-(4-methylphenyl)ethylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.135782453 u
Formula C17H20N4OS
InChI InChI=1S/C17H20N4OS/c1-11-5-7-15(8-6-11)14(4)20-21-16(22)10-23-17-18-12(2)9-13(3)19-17/h5-9H,10H2,1-4H3,(H,21,22)/b20-14+
InChIKey KSCXTKSIDLWMMJ-XSFVSMFZSA-N
SMILES N(\N=C\(C=1C=CC(=CC1)C)C)C(CSC1=NC(C)=CC(=N1)C)=O