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2-(1-Adamantylamino)-5-(4-bromophenyl)-1,3,4-thiadiazole
SpectraBase Compound ID DmAYzI4OEa8
InChI InChI=1S/C18H20BrN3S/c19-15-3-1-14(2-4-15)16-21-22-17(23-16)20-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,20,22)/t11-,12+,13-,18-
InChIKey OACGVFDZUBPNND-MCXHQAMOSA-N
Mol Weight 390.34 g/mol
Molecular Formula C18H20BrN3S
Exact Mass 389.056132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPfDgcll4lK
Name 2-(1-Adamantylamino)-5-(4-bromophenyl)-1,3,4-thiadiazole
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Formula C18H20BrN3S
InChI InChI=1S/C18H20BrN3S/c19-15-3-1-14(2-4-15)16-21-22-17(23-16)20-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,20,22)/t11-,12+,13-,18-
InChIKey OACGVFDZUBPNND-MCXHQAMOSA-N
Molecular Weight 390.343 g/mol
SMILES N(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])c1sc(nn1)-c1ccc(cc1)Br
SPLASH splash10-000f-9531000000-ec60a9c5d2b6b31e7097
Source of Spectrum EMC-42-240-8d
Synonyms N-((3s,5s,7s)-adamantan-1-yl)-5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine N-(1-adamantyl)-5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine
Wiley ID 1735151