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Pyridine-2,6-dicarboxylic acid, bis-benzothiazol-2-ylamide

View entire compound with spectra: 1 NMR

Pyridine-2,6-dicarboxylic acid, bis-benzothiazol-2-ylamide
SpectraBase Compound ID 73VflhlTbi0
InChI InChI=1S/C21H13N5O2S2/c27-18(25-20-23-12-6-1-3-10-16(12)29-20)14-8-5-9-15(22-14)19(28)26-21-24-13-7-2-4-11-17(13)30-21/h1-11H,(H,23,25,27)(H,24,26,28)
InChIKey LYJGEWKGTILYII-UHFFFAOYSA-N
Mol Weight 431.49 g/mol
Molecular Formula C21H13N5O2S2
Exact Mass 431.051067 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H9rLOipOKvV
Name Pyridine-2,6-dicarboxylic acid, bis-benzothiazol-2-ylamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.051067025 u
Formula C21H13N5O2S2
InChI InChI=1S/C21H13N5O2S2/c27-18(25-20-23-12-6-1-3-10-16(12)29-20)14-8-5-9-15(22-14)19(28)26-21-24-13-7-2-4-11-17(13)30-21/h1-11H,(H,23,25,27)(H,24,26,28)
InChIKey LYJGEWKGTILYII-UHFFFAOYSA-N
Molecular Weight 431.488 g/mol
SMILES C1=CC=C(N=C1C(NC1=NC2=CC=CC=C2S1)=O)C(NC=1SC2=CC=CC=C2N1)=O