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acetamide, N-[4-(4-chlorophenoxy)phenyl]-2-(4-cyclohexylphenoxy)-
SpectraBase Compound ID GRlTnHZs1PD
InChI InChI=1S/C26H26ClNO3/c27-21-8-14-24(15-9-21)31-25-16-10-22(11-17-25)28-26(29)18-30-23-12-6-20(7-13-23)19-4-2-1-3-5-19/h6-17,19H,1-5,18H2,(H,28,29)
InChIKey KPJHWNBZXFQWKT-UHFFFAOYSA-N
Mol Weight 435.95 g/mol
Molecular Formula C26H26ClNO3
Exact Mass 435.160121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 798kevQ0HzZ
Name Acetamide, N-[4-(4-chlorophenoxy)phenyl]-2-(4-cyclohexylphenoxy)-
Comments Computed using HOSE algorithm
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Exact Mass 435.160121398 u
Formula C26H26ClNO3
InChI InChI=1S/C26H26ClNO3/c27-21-8-14-24(15-9-21)31-25-16-10-22(11-17-25)28-26(29)18-30-23-12-6-20(7-13-23)19-4-2-1-3-5-19/h6-17,19H,1-5,18H2,(H,28,29)
InChIKey KPJHWNBZXFQWKT-UHFFFAOYSA-N
Molecular Weight 435.951 g/mol
SMILES N(C(=O)COC=1C=CC(=CC1)C1CCCCC1)C1=CC=C(OC=2C=CC(=CC2)Cl)C=C1