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2-(1-adamantyl)-N-(5-bromo-2-pyridinyl)acetamide

View entire compound with spectra: 2 NMR

2-(1-adamantyl)-N-(5-bromo-2-pyridinyl)acetamide
SpectraBase Compound ID 2pcKHDvEMwB
InChI InChI=1S/C17H21BrN2O/c18-14-1-2-15(19-10-14)20-16(21)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,10-13H,3-9H2,(H,19,20,21)/t11-,12+,13-,17-
InChIKey YLLPQFJGUVGSPG-FBBPANFNSA-N
Mol Weight 349.27 g/mol
Molecular Formula C17H21BrN2O
Exact Mass 348.083726 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jo82iNWcpVx
Name 2-(1-Adamantyl)-N-(5-bromo-2-pyridinyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 348.083726303 u
Formula C17H21BrN2O
InChI InChI=1S/C17H21BrN2O/c18-14-1-2-15(19-10-14)20-16(21)9-17-6-11-3-12(7-17)5-13(4-11)8-17/h1-2,10-13H,3-9H2,(H,19,20,21)/t11-,12+,13-,17-
InChIKey YLLPQFJGUVGSPG-FBBPANFNSA-N
Molecular Weight 349.272 g/mol
SMILES N(C=1N=CC(Br)=CC1)C(CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O