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1-Ethanone, 1-phenyl-2-[(5-tricyclo[3.3.1.1(3,7)]dec-1-yl-1,3-benzoxazol-2-yl)thio]-
SpectraBase Compound ID ALCBI3aGDFI
InChI InChI=1S/C25H25NO2S/c27-22(19-4-2-1-3-5-19)15-29-24-26-21-11-20(6-7-23(21)28-24)25-12-16-8-17(13-25)10-18(9-16)14-25/h1-7,11,16-18H,8-10,12-15H2/t16-,17+,18-,25-
InChIKey CSLUQGPPZVJGNO-BLEMRMKPSA-N
Mol Weight 403.54 g/mol
Molecular Formula C25H25NO2S
Exact Mass 403.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37sKOzk2Gu
Name 1-Ethanone, 1-phenyl-2-[(5-tricyclo[3.3.1.1(3,7)]dec-1-yl-1,3-benzoxazol-2-yl)thio]-
Alternate Name(s) 2-{[5-(adamantan-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}-1-phenylethan-1-one 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]thio]-1-phenylethanone 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-1-phenylethanone 2-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]-1-phenyl-ethanone
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Formula C25H25NO2S
InChI InChI=1S/C25H25NO2S/c27-22(19-4-2-1-3-5-19)15-29-24-26-21-11-20(6-7-23(21)28-24)25-12-16-8-17(13-25)10-18(9-16)14-25/h1-7,11,16-18H,8-10,12-15H2/t16-,17+,18-,25-
InChIKey CSLUQGPPZVJGNO-BLEMRMKPSA-N
Molecular Weight 403.540 g/mol
SMILES c12ccc(cc2nc(o1)SCC(c1ccccc1)=O)C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H]
SPLASH splash10-0a4i-4910000000-3aab495534b6e85e59f6
Source of Spectrum IY-2-5001-2
Wiley ID 1657995