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.alpha.-(3-Iodoadamant-1'-yl)isobutyrophenone
SpectraBase Compound ID 48F8A6WAdG6
InChI InChI=1S/C20H25IO/c1-18(2,17(22)16-6-4-3-5-7-16)19-9-14-8-15(10-19)12-20(21,11-14)13-19/h3-7,14-15H,8-13H2,1-2H3/t14-,15?,19?,20?/m0/s1
InChIKey IWPWULIANAFUQK-HVKBPLKZSA-N
Mol Weight 408.32 g/mol
Molecular Formula C20H25IO
Exact Mass 408.09501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aw9V6WvK0oZ
Name .alpha.-(3-Iodoadamant-1'-yl)isobutyrophenone
Alternate Name(s) .alpha.-(3-Iodoadamant-1-yl)isobutyrophenone 2-(3-iodo-1-adamantyl)-2-methyl-1-phenyl-1-propanone
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Formula C20H25IO
InChI InChI=1S/C20H25IO/c1-18(2,17(22)16-6-4-3-5-7-16)19-9-14-8-15(10-19)12-20(21,11-14)13-19/h3-7,14-15H,8-13H2,1-2H3/t14-,15?,19?,20?/m0/s1
InChIKey IWPWULIANAFUQK-HVKBPLKZSA-N
Molecular Weight 408.323 g/mol
SMILES C12(C(C(=O)c3ccccc3)(C)C)CC3(I)C[C@](C1)(CC(C2)C3)[H]
SPLASH splash10-0a4i-2910000000-b55cfa99c1c3b8524f03
Source of Spectrum J-62-4264-19
Wiley ID 1372836