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N-[2-(Adamantan-1-yloxy)-ethyl]-N-methyl-4-nitro-benzamide

View entire compound with spectra: 1 NMR, and 1 FTIR

N-[2-(Adamantan-1-yloxy)-ethyl]-N-methyl-4-nitro-benzamide
SpectraBase Compound ID 7f4IZpo2CQs
InChI InChI=1S/C20H26N2O4/c1-21(19(23)17-2-4-18(5-3-17)22(24)25)6-7-26-20-11-14-8-15(12-20)10-16(9-14)13-20/h2-5,14-16H,6-13H2,1H3/t14-,15+,16-,20-
InChIKey AUOJGAOQCMBVQJ-BMWJPVITSA-N
Mol Weight 358.44 g/mol
Molecular Formula C20H26N2O4
Exact Mass 358.189257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KLcBq7ulAoR
Name N-[2-(Adamantan-1-yloxy)-ethyl]-N-methyl-4-nitro-benzamide
Comments Computed using HOSE algorithm
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Exact Mass 358.189257321 u
Formula C20H26N2O4
InChI InChI=1S/C20H26N2O4/c1-21(19(23)17-2-4-18(5-3-17)22(24)25)6-7-26-20-11-14-8-15(12-20)10-16(9-14)13-20/h2-5,14-16H,6-13H2,1H3/t14-,15+,16-,20-
InChIKey AUOJGAOQCMBVQJ-BMWJPVITSA-N
Molecular Weight 358.438 g/mol
SMILES CN(C(C=1C=CC(N(=O)=O)=CC1)=O)CCOC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]