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tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, N-[4-(pentyloxy)phenyl]-
SpectraBase Compound ID 6s5jP112RpY
InChI InChI=1S/C22H31NO2/c1-2-3-4-9-25-20-7-5-19(6-8-20)23-21(24)22-13-16-10-17(14-22)12-18(11-16)15-22/h5-8,16-18H,2-4,9-15H2,1H3,(H,23,24)
InChIKey KDJSYLNRHAJTBJ-UHFFFAOYSA-N
Mol Weight 341.5 g/mol
Molecular Formula C22H31NO2
Exact Mass 341.235479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 68uVUnUNTsN
Name Tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, N-[4-(pentyloxy)phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 341.235479240 u
Formula C22H31NO2
InChI InChI=1S/C22H31NO2/c1-2-3-4-9-25-20-7-5-19(6-8-20)23-21(24)22-13-16-10-17(14-22)12-18(11-16)15-22/h5-8,16-18H,2-4,9-15H2,1H3,(H,23,24)
InChIKey KDJSYLNRHAJTBJ-UHFFFAOYSA-N
Molecular Weight 341.495 g/mol
SMILES N(C(C12CC3CC(C2)CC(C1)C3)=O)C1=CC=C(C=C1)OCCCCC