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N-[2-(1-adamantyl)ethyl]-6-chloro-2-oxo-2H-chromene-3-carboxamide

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N-[2-(1-adamantyl)ethyl]-6-chloro-2-oxo-2H-chromene-3-carboxamide
SpectraBase Compound ID AYBn1na0RvS
InChI InChI=1S/C22H24ClNO3/c23-17-1-2-19-16(8-17)9-18(21(26)27-19)20(25)24-4-3-22-10-13-5-14(11-22)7-15(6-13)12-22/h1-2,8-9,13-15H,3-7,10-12H2,(H,24,25)/t13-,14+,15-,22+
InChIKey UDSAPQTZUPJZTO-DCQBEMBCSA-N
Mol Weight 385.89 g/mol
Molecular Formula C22H24ClNO3
Exact Mass 385.144471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eC7mqhj5t2
Name N-[2-(1-Adamantyl)ethyl]-6-chloro-2-oxo-2H-chromene-3-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 385.144471334 u
Formula C22H24ClNO3
InChI InChI=1S/C22H24ClNO3/c23-17-1-2-19-16(8-17)9-18(21(26)27-19)20(25)24-4-3-22-10-13-5-14(11-22)7-15(6-13)12-22/h1-2,8-9,13-15H,3-7,10-12H2,(H,24,25)/t13-,14+,15-,22+
InChIKey UDSAPQTZUPJZTO-DCQBEMBCSA-N
Molecular Weight 385.891 g/mol
SMILES N(C(C=1C(OC2=C(C1)C=C(C=C2)Cl)=O)=O)CCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]