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N-{5-[2-((2E)-2-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzylidene}hydrazino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}benzamide
SpectraBase Compound ID GCPpWdqx2MV
InChI InChI=1S/C26H22FN5O4S/c1-35-22-13-17(11-12-21(22)36-16-19-9-5-6-10-20(19)27)15-28-30-23(33)14-24-31-32-26(37-24)29-25(34)18-7-3-2-4-8-18/h2-13,15H,14,16H2,1H3,(H,30,33)(H,29,32,34)/b28-15+
InChIKey SBSWFNFJDRJTKJ-RWPZCVJISA-N
Mol Weight 519.55 g/mol
Molecular Formula C26H22FN5O4S
Exact Mass 519.137654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BE4BDDDs7gF
Name N-{5-[2-((2E)-2-{4-[(2-Fluorobenzyl)oxy]-3-methoxybenzylidene}hydrazino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 519.137653541 u
Formula C26H22FN5O4S
InChI InChI=1S/C26H22FN5O4S/c1-35-22-13-17(11-12-21(22)36-16-19-9-5-6-10-20(19)27)15-28-30-23(33)14-24-31-32-26(37-24)29-25(34)18-7-3-2-4-8-18/h2-13,15H,14,16H2,1H3,(H,30,33)(H,29,32,34)/b28-15+
InChIKey SBSWFNFJDRJTKJ-RWPZCVJISA-N
Molecular Weight 519.551 g/mol
SMILES N(\N=C\C=1C=C(OC)C(=CC1)OCC1=C(F)C=CC=C1)C(CC=1SC(=NN1)NC(=O)C1=CC=CC=C1)=O