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1-(1-Adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone
SpectraBase Compound ID 1hiNmoKLbsm
InChI InChI=1S/C19H21NOS2/c21-17(11-22-18-20-15-3-1-2-4-16(15)23-18)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2/t12-,13+,14-,19-
InChIKey XTARDDSYOVQIMI-KRFSREQESA-N
Mol Weight 343.5 g/mol
Molecular Formula C19H21NOS2
Exact Mass 343.106457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYLsdBceI3M
Name 1-(1-Adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone
Alternate Name(s) 1-(1-adamantyl)-2-(1,3-benzothiazol-2-ylthio)ethanone Ethanone, 1-(adamantan-1-yl)-2-(benzothiazol-2-ylsulfanyl)-
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Formula C19H21NOS2
InChI InChI=1S/C19H21NOS2/c21-17(11-22-18-20-15-3-1-2-4-16(15)23-18)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2/t12-,13+,14-,19-
InChIKey XTARDDSYOVQIMI-KRFSREQESA-N
Molecular Weight 343.503 g/mol
SMILES [C@]12(CC3(C[C@](C2)(C[C@@](C3)(C1)[H])[H])C(CSc1sc2c(n1)cccc2)=O)[H]
SPLASH splash10-000i-6910000000-4d95ffb313d1fc887b3d
Wiley ID 1439196