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N-(2-bromo-4,6-difluorophenyl)-3-(1,3-dioxooctahydro-2H-isoindol-2-yl)propanamide
SpectraBase Compound ID 2hdyrbC0PLf
InChI InChI=1S/C17H17BrF2N2O3/c18-12-7-9(19)8-13(20)15(12)21-14(23)5-6-22-16(24)10-3-1-2-4-11(10)17(22)25/h7-8,10-11H,1-6H2,(H,21,23)
InChIKey NWYDFVJMFLQZDI-UHFFFAOYSA-N
Mol Weight 415.23 g/mol
Molecular Formula C17H17BrF2N2O3
Exact Mass 414.039062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2KSShIna5Me
Name N-(2-Bromo-4,6-difluorophenyl)-3-(1,3-dioxooctahydro-2H-isoindol-2-yl)propanamide
Comments Computed using HOSE algorithm
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Exact Mass 414.039061738 u
Formula C17H17BrF2N2O3
InChI InChI=1S/C17H17BrF2N2O3/c18-12-7-9(19)8-13(20)15(12)21-14(23)5-6-22-16(24)10-3-1-2-4-11(10)17(22)25/h7-8,10-11H,1-6H2,(H,21,23)
InChIKey NWYDFVJMFLQZDI-UHFFFAOYSA-N
Molecular Weight 415.235 g/mol
SMILES N(C1=C(C=C(F)C=C1F)Br)C(CCN1C(C2CCCCC2C1=O)=O)=O