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[(2Z)-2-(cycloheptylidenehydrazono)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
SpectraBase Compound ID 84kJ9em5eDv
InChI InChI=1S/C18H21N3O3S/c22-16(23)12-15-17(24)21(14-10-6-3-7-11-14)18(25-15)20-19-13-8-4-1-2-5-9-13/h3,6-7,10-11,15H,1-2,4-5,8-9,12H2,(H,22,23)/b20-18-
InChIKey AYIUNZPZLKTQJH-ZZEZOPTASA-N
Mol Weight 359.44 g/mol
Molecular Formula C18H21N3O3S
Exact Mass 359.130363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AYowKstLiya
Name [(2Z)-2-(Cycloheptylidenehydrazono)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.130362719 u
Formula C18H21N3O3S
InChI InChI=1S/C18H21N3O3S/c22-16(23)12-15-17(24)21(14-10-6-3-7-11-14)18(25-15)20-19-13-8-4-1-2-5-9-13/h3,6-7,10-11,15H,1-2,4-5,8-9,12H2,(H,22,23)/b20-18-
InChIKey AYIUNZPZLKTQJH-ZZEZOPTASA-N
Molecular Weight 359.444 g/mol
SMILES OC(CC1C(N(\C(S1)=N\N=C1CCCCCC1)C=1C=CC=CC1)=O)=O