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2-(1-Adamantylamino)-5-phenyl-1,3,4-thiadiazole
SpectraBase Compound ID L1DIcLRftov
InChI InChI=1S/C18H21N3S/c1-2-4-15(5-3-1)16-20-21-17(22-16)19-18-9-12-6-13(10-18)8-14(7-12)11-18/h1-5,12-14H,6-11H2,(H,19,21)/t12-,13+,14-,18-
InChIKey DGLIJMXKGKNROL-WXZYKRPKSA-N
Mol Weight 311.45 g/mol
Molecular Formula C18H21N3S
Exact Mass 311.145619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzOnDLAapf2
Name 2-(1-Adamantylamino)-5-phenyl-1,3,4-thiadiazole
Alternate Name(s) N-((3s,5s,7s)-adamantan-1-yl)-5-phenyl-1,3,4-thiadiazol-2-amine N-(1-adamantyl)-5-phenyl-1,3,4-thiadiazol-2-amine
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Formula C18H21N3S
InChI InChI=1S/C18H21N3S/c1-2-4-15(5-3-1)16-20-21-17(22-16)19-18-9-12-6-13(10-18)8-14(7-12)11-18/h1-5,12-14H,6-11H2,(H,19,21)/t12-,13+,14-,18-
InChIKey DGLIJMXKGKNROL-WXZYKRPKSA-N
Molecular Weight 311.447 g/mol
SMILES N(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])c1sc(nn1)-c1ccccc1
SPLASH splash10-002o-9610000000-80a601e8f2405f6a092b
Source of Spectrum EMC-42-240-8a
Wiley ID 1735153