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Thiourea, 1-(adamantane-1-carbonyl)-3-cyclohexyl-
SpectraBase Compound ID BYOohqCIkdG
InChI InChI=1S/C18H28N2OS/c21-16(20-17(22)19-15-4-2-1-3-5-15)18-9-12-6-13(10-18)8-14(7-12)11-18/h12-15H,1-11H2,(H2,19,20,21,22)/t12-,13+,14-,18-
InChIKey JZRDYHDBBVXOCR-WXZYKRPKSA-N
Mol Weight 320.5 g/mol
Molecular Formula C18H28N2OS
Exact Mass 320.192235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26mmatYPyD
Name Thiourea, 1-(adamantane-1-carbonyl)-3-cyclohexyl-
Comments Computed using HOSE algorithm
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Exact Mass 320.192234703 u
Formula C18H28N2OS
InChI InChI=1S/C18H28N2OS/c21-16(20-17(22)19-15-4-2-1-3-5-15)18-9-12-6-13(10-18)8-14(7-12)11-18/h12-15H,1-11H2,(H2,19,20,21,22)/t12-,13+,14-,18-
InChIKey JZRDYHDBBVXOCR-WXZYKRPKSA-N
Molecular Weight 320.495 g/mol
SMILES C12(C(NC(NC3CCCCC3)=S)=O)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H]