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1-(1-Adamantyl)-3-(p-chlorophenyl)-2-thiourea

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

1-(1-Adamantyl)-3-(p-chlorophenyl)-2-thiourea
SpectraBase Compound ID ArCp4JN0z2k
InChI InChI=1S/C17H21ClN2S/c18-14-1-3-15(4-2-14)19-16(21)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H2,19,20,21)/t11-,12+,13-,17-
InChIKey QMBYPRSCPXSELE-FBBPANFNSA-N
Mol Weight 320.88 g/mol
Molecular Formula C17H21ClN2S
Exact Mass 320.111398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzIfhw0wPVs
Name 1-(1-Adamantyl)-3-(p-chlorophenyl)-2-thiourea
Comments Computed using HOSE algorithm
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Exact Mass 320.111397558 u
Formula C17H21ClN2S
InChI InChI=1S/C17H21ClN2S/c18-14-1-3-15(4-2-14)19-16(21)20-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H2,19,20,21)/t11-,12+,13-,17-
InChIKey QMBYPRSCPXSELE-FBBPANFNSA-N
Molecular Weight 320.882 g/mol
SMILES N(C1=CC=C(C=C1)Cl)C(NC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=S