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Butyramide, N-(4-cyanomethylphenyl)-4-(2,4-dichlorophenoxy)-
SpectraBase Compound ID CXVA5j5FKuF
InChI InChI=1S/C18H16Cl2N2O2/c19-14-5-8-17(16(20)12-14)24-11-1-2-18(23)22-15-6-3-13(4-7-15)9-10-21/h3-8,12H,1-2,9,11H2,(H,22,23)
InChIKey KOEVZVJHHWRQFV-UHFFFAOYSA-N
Mol Weight 363.24 g/mol
Molecular Formula C18H16Cl2N2O2
Exact Mass 362.058883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4t3U8Zq0UTN
Name Butyramide, N-(4-cyanomethylphenyl)-4-(2,4-dichlorophenoxy)-
Comments Computed using HOSE algorithm
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Exact Mass 362.058883161 u
Formula C18H16Cl2N2O2
InChI InChI=1S/C18H16Cl2N2O2/c19-14-5-8-17(16(20)12-14)24-11-1-2-18(23)22-15-6-3-13(4-7-15)9-10-21/h3-8,12H,1-2,9,11H2,(H,22,23)
InChIKey KOEVZVJHHWRQFV-UHFFFAOYSA-N
Molecular Weight 363.244 g/mol
SMILES C(COC1=C(C=C(C=C1)Cl)Cl)CC(NC=1C=CC(CC#N)=CC1)=O