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p-Chloroacetophenone 4-[1-adamantyl]-3-thiosemicarbazone

View entire compound with spectra: 1 NMR

p-Chloroacetophenone 4-[1-adamantyl]-3-thiosemicarbazone
SpectraBase Compound ID FyyQOj6oKdH
InChI InChI=1S/C19H24ClN3S/c1-12(16-2-4-17(20)5-3-16)22-23-18(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H2,21,23,24)/b22-12+
InChIKey MCIMFYXRZSJLME-WSDLNYQXSA-N
Mol Weight 361.94 g/mol
Molecular Formula C19H24ClN3S
Exact Mass 361.137947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VBiGKxQnPJ
Name p-Chloroacetophenone 4-[1-adamantyl]-3-thiosemicarbazone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.137946659 u
Formula C19H24ClN3S
InChI InChI=1S/C19H24ClN3S/c1-12(16-2-4-17(20)5-3-16)22-23-18(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H2,21,23,24)/b22-12+
InChIKey MCIMFYXRZSJLME-WSDLNYQXSA-N
Molecular Weight 361.935 g/mol
SMILES C12CC3(CC(C2)CC(C1)C3)NC(N\N=C/(C)C1=CC=C(C=C1)Cl)=S