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N-[2-(1-adamantyl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
SpectraBase Compound ID 2CiPQw1Hgcb
InChI InChI=1S/C20H25Cl2NO2/c21-16-1-2-18(17(22)8-16)25-12-19(24)23-4-3-20-9-13-5-14(10-20)7-15(6-13)11-20/h1-2,8,13-15H,3-7,9-12H2,(H,23,24)
InChIKey OVDCXJJCXGTCOG-UHFFFAOYSA-N
Mol Weight 382.33 g/mol
Molecular Formula C20H25Cl2NO2
Exact Mass 381.126234 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IBzuIxUTJO1
Name N-[2-(1-Adamantyl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 381.126234447 u
Formula C20H25Cl2NO2
InChI InChI=1S/C20H25Cl2NO2/c21-16-1-2-18(17(22)8-16)25-12-19(24)23-4-3-20-9-13-5-14(10-20)7-15(6-13)11-20/h1-2,8,13-15H,3-7,9-12H2,(H,23,24)
InChIKey OVDCXJJCXGTCOG-UHFFFAOYSA-N
Molecular Weight 382.331 g/mol
SMILES N(C(=O)COC=1C(=CC(=CC1)Cl)Cl)CCC12CC3CC(C2)CC(C1)C3