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1-Azacycloheptane-1-thiocarboxylic acid 2-[1-[1-isoquinolinyl]ethylidene]hydrazide

View entire compound with spectra: 1 NMR

1-Azacycloheptane-1-thiocarboxylic acid 2-[1-[1-isoquinolinyl]ethylidene]hydrazide
SpectraBase Compound ID FZtWfC7Jb3U
InChI InChI=1S/C18H22N4S/c1-14(17-16-9-5-4-8-15(16)10-11-19-17)20-21-18(23)22-12-6-2-3-7-13-22/h4-5,8-11H,2-3,6-7,12-13H2,1H3,(H,21,23)/b20-14+
InChIKey FDUNWOMJVWUMFP-XSFVSMFZSA-N
Mol Weight 326.46 g/mol
Molecular Formula C18H22N4S
Exact Mass 326.156518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Z1uHj4V2rK
Name 1-Azacycloheptane-1-thiocarboxylic acid 2-[1-[1-isoquinolinyl]ethylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.156517898 u
Formula C18H22N4S
InChI InChI=1S/C18H22N4S/c1-14(17-16-9-5-4-8-15(16)10-11-19-17)20-21-18(23)22-12-6-2-3-7-13-22/h4-5,8-11H,2-3,6-7,12-13H2,1H3,(H,21,23)/b20-14+
InChIKey FDUNWOMJVWUMFP-XSFVSMFZSA-N
Molecular Weight 326.462 g/mol
SMILES C12=CC=NC(=C2C=CC=C1)\C(=N\NC(N1CCCCCC1)=S)C