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Decanoic acid (2',6'-dichloro-6-methoxybiphen-3-yl)-(2-dimethylaminoethyl)amide
SpectraBase Compound ID AmLRE2wieSI
InChI InChI=1S/C27H38Cl2N2O2/c1-5-6-7-8-9-10-11-15-26(32)31(19-18-30(2)3)21-16-17-25(33-4)22(20-21)27-23(28)13-12-14-24(27)29/h12-14,16-17,20H,5-11,15,18-19H2,1-4H3
InChIKey MVJDZNYWBBBKOW-UHFFFAOYSA-N
Mol Weight 493.5 g/mol
Molecular Formula C27H38Cl2N2O2
Exact Mass 492.231034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5u7TTIEJCn3
Name Decanoic acid (2',6'-dichloro-6-methoxybiphen-3-yl)-(2-dimethylaminoethyl)amide
Comments Computed using HOSE algorithm
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Exact Mass 492.231033870 u
Formula C27H38Cl2N2O2
InChI InChI=1S/C27H38Cl2N2O2/c1-5-6-7-8-9-10-11-15-26(32)31(19-18-30(2)3)21-16-17-25(33-4)22(20-21)27-23(28)13-12-14-24(27)29/h12-14,16-17,20H,5-11,15,18-19H2,1-4H3
InChIKey MVJDZNYWBBBKOW-UHFFFAOYSA-N
Molecular Weight 493.519 g/mol
SMILES C(N(C=1C=C(C2=C(C=CC=C2Cl)Cl)C(=CC1)OC)CCN(C)C)(=O)CCCCCCCCC