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1-(1-Adamantyl)-2-(4-nitrophenyl)ethanone
SpectraBase Compound ID LnonWM4cWl9
InChI InChI=1S/C18H21NO3/c20-17(8-12-1-3-16(4-2-12)19(21)22)18-9-13-5-14(10-18)7-15(6-13)11-18/h1-4,13-15H,5-11H2/t13-,14+,15-,18-
InChIKey JGVDVQMDOURUNA-OVMOHIIOSA-N
Mol Weight 299.37 g/mol
Molecular Formula C18H21NO3
Exact Mass 299.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1MhUKGQbuN1
Name 1-(1-Adamantyl)-2-(4-nitrophenyl)ethanone
Appearance Colorless solid
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Formula C18H21NO3
InChI InChI=1S/C18H21NO3/c20-17(8-12-1-3-16(4-2-12)19(21)22)18-9-13-5-14(10-18)7-15(6-13)11-18/h1-4,13-15H,5-11H2/t13-,14+,15-,18-
InChIKey JGVDVQMDOURUNA-OVMOHIIOSA-N
Instrument Name Shimadzu QP???2010
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.c06
Molecular Weight 299.370 g/mol
SMILES C12(C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])C(Cc1ccc(cc1)[N+](=O)[O-])=O
SPLASH splash10-000i-3900000000-7eb668bebf8d2e7cd5a3
Source of Spectrum ARK-2009-76-7c
Thin-Layer Chromatography Rf = 0.46 (petroleum ether/ethyl acetate, 4:1)
Wiley ID 1869773