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2-(1-Adamantylamino)-5-(1-adamantyl)-1,3,4-thiadiazole

View entire compound with spectra: 1 MS (GC)

2-(1-Adamantylamino)-5-(1-adamantyl)-1,3,4-thiadiazole
SpectraBase Compound ID DDXh4bgykiu
InChI InChI=1S/C22H31N3S/c1-13-2-15-3-14(1)8-21(7-13,9-15)19-24-25-20(26-19)23-22-10-16-4-17(11-22)6-18(5-16)12-22/h13-18H,1-12H2,(H,23,25)/t13-,14+,15-,16-,17?,18?,21-,22?
InChIKey DKWTXPZEIASXRU-IEUMMJPKSA-N
Mol Weight 369.57 g/mol
Molecular Formula C22H31N3S
Exact Mass 369.223869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HWq9vglBr5j
Name 2-(1-Adamantylamino)-5-(1-adamantyl)-1,3,4-thiadiazole
Alternate Name(s) N-((3R,5R)-adamantan-1-yl)-5-((3R,5R,7R)-adamantan-1-yl)-1,3,4-thiadiazol-2-amine N,5-bis(1-adamantyl)-1,3,4-thiadiazol-2-amine
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Formula C22H31N3S
InChI InChI=1S/C22H31N3S/c1-13-2-15-3-14(1)8-21(7-13,9-15)19-24-25-20(26-19)23-22-10-16-4-17(11-22)6-18(5-16)12-22/h13-18H,1-12H2,(H,23,25)/t13-,14+,15-,16-,17?,18?,21-,22?
InChIKey DKWTXPZEIASXRU-IEUMMJPKSA-N
Molecular Weight 369.571 g/mol
SMILES N(C12CC3CC(C2)CC(C1)C3)c1sc(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])nn1
SPLASH splash10-000f-9511000000-f945858e33de26aa0186
Source of Spectrum EMC-42-240-8g
Wiley ID 1735149