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N-(1-adamantyl)-5-(4-bromophenyl)-2-furamide

View entire compound with spectra: 2 NMR

N-(1-adamantyl)-5-(4-bromophenyl)-2-furamide
SpectraBase Compound ID GVvclFZzdFb
InChI InChI=1S/C21H22BrNO2/c22-17-3-1-16(2-4-17)18-5-6-19(25-18)20(24)23-21-10-13-7-14(11-21)9-15(8-13)12-21/h1-6,13-15H,7-12H2,(H,23,24)/t13-,14+,15-,21-
InChIKey NDIYFONPEWRMIN-FZUGUKJMSA-N
Mol Weight 400.32 g/mol
Molecular Formula C21H22BrNO2
Exact Mass 399.083392 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BasQq8TmSCC
Name N-(1-Adamantyl)-5-(4-bromophenyl)-2-furamide
Comments Computed using HOSE algorithm
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Exact Mass 399.083391950 u
Formula C21H22BrNO2
InChI InChI=1S/C21H22BrNO2/c22-17-3-1-16(2-4-17)18-5-6-19(25-18)20(24)23-21-10-13-7-14(11-21)9-15(8-13)12-21/h1-6,13-15H,7-12H2,(H,23,24)/t13-,14+,15-,21-
InChIKey NDIYFONPEWRMIN-FZUGUKJMSA-N
Molecular Weight 400.316 g/mol
SMILES N(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(C=1OC(C=2C=CC(=CC2)Br)=CC1)=O