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2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]acetohydrazide
SpectraBase Compound ID 9hHB0CPIUei
InChI InChI=1S/C24H29N3O2S2/c1-23(2,3)16-11-15(12-17(21(16)29)24(4,5)6)13-25-27-20(28)14-30-22-26-18-9-7-8-10-19(18)31-22/h7-13,29H,14H2,1-6H3,(H,27,28)/b25-13+
InChIKey XGQWIUHIIUFBML-DHRITJCHSA-N
Mol Weight 455.64 g/mol
Molecular Formula C24H29N3O2S2
Exact Mass 455.17012 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 40v0NdN9VSK
Name 2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.170119532 u
Formula C24H29N3O2S2
InChI InChI=1S/C24H29N3O2S2/c1-23(2,3)16-11-15(12-17(21(16)29)24(4,5)6)13-25-27-20(28)14-30-22-26-18-9-7-8-10-19(18)31-22/h7-13,29H,14H2,1-6H3,(H,27,28)/b25-13+
InChIKey XGQWIUHIIUFBML-DHRITJCHSA-N
Molecular Weight 455.635 g/mol
SMILES N(\N=C\C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(CSC1=NC=2C=CC=CC2S1)=O