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1-Azacyclotridecane-1-thiocarboxylic acid, 2-[1-[2-pyridyl]ethylidene]hydrazide

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1-Azacyclotridecane-1-thiocarboxylic acid, 2-[1-[2-pyridyl]ethylidene]hydrazide
SpectraBase Compound ID 9KGkZojbnXR
InChI InChI=1S/C20H32N4S/c1-18(19-14-10-11-15-21-19)22-23-20(25)24-16-12-8-6-4-2-3-5-7-9-13-17-24/h10-11,14-15H,2-9,12-13,16-17H2,1H3,(H,23,25)/b22-18+
InChIKey BTSHWGAQAYYNFK-RELWKKBWSA-N
Mol Weight 360.6 g/mol
Molecular Formula C20H32N4S
Exact Mass 360.234768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FgFYPYAzSfI
Name 1-Azacyclotridecane-1-thiocarboxylic acid, 2-[1-[2-pyridyl]ethylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.234768220 u
Formula C20H32N4S
InChI InChI=1S/C20H32N4S/c1-18(19-14-10-11-15-21-19)22-23-20(25)24-16-12-8-6-4-2-3-5-7-9-13-17-24/h10-11,14-15H,2-9,12-13,16-17H2,1H3,(H,23,25)/b22-18+
InChIKey BTSHWGAQAYYNFK-RELWKKBWSA-N
Molecular Weight 360.564 g/mol
SMILES C1CCCCCCCN(CCCC1)C(N\N=C\(C1=CC=CC=N1)C)=S