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4-[1-Adamantyl]-3-thiosemicarbazone-2,6-dichlorobenzaldehyde

View entire compound with spectra: 1 NMR

4-[1-Adamantyl]-3-thiosemicarbazone-2,6-dichlorobenzaldehyde
SpectraBase Compound ID 6a5FUL75Ed4
InChI InChI=1S/C18H21Cl2N3S/c19-15-2-1-3-16(20)14(15)10-21-23-17(24)22-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,10-13H,4-9H2,(H2,22,23,24)/b21-10+/t11-,12+,13-,18-
InChIKey GLHQBARWDZOEON-ZXKLIBGUSA-N
Mol Weight 382.35 g/mol
Molecular Formula C18H21Cl2N3S
Exact Mass 381.083324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1cr0cdjeXOK
Name 4-[1-Adamantyl]-3-thiosemicarbazone-2,6-dichlorobenzaldehyde
Comments Computed using HOSE algorithm
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Exact Mass 381.083324262 u
Formula C18H21Cl2N3S
InChI InChI=1S/C18H21Cl2N3S/c19-15-2-1-3-16(20)14(15)10-21-23-17(24)22-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,10-13H,4-9H2,(H2,22,23,24)/b21-10+/t11-,12+,13-,18-
InChIKey GLHQBARWDZOEON-ZXKLIBGUSA-N
Molecular Weight 382.353 g/mol
SMILES C1=CC=C(C(=C1Cl)\C=N\NC(NC12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])=S)Cl