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2-Chloranyl-N-[2-[2-methyl-5-(trifluoromethyloxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide
SpectraBase Compound ID DrmWjHNC9Qe
InChI InChI=1S/C18H15ClF3N3O2/c1-10-12(6-8-24-17(26)13-3-2-7-23-16(13)19)14-9-11(27-18(20,21)22)4-5-15(14)25-10/h2-5,7,9,25H,6,8H2,1H3,(H,24,26)
InChIKey WBPBZJALVPENLT-UHFFFAOYSA-N
Mol Weight 397.79 g/mol
Molecular Formula C18H15ClF3N3O2
Exact Mass 397.080489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GPPxMNtP4DT
Name 2-Chloranyl-N-[2-[2-methyl-5-(trifluoromethyloxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 397.080488922 u
Formula C18H15ClF3N3O2
InChI InChI=1S/C18H15ClF3N3O2/c1-10-12(6-8-24-17(26)13-3-2-7-23-16(13)19)14-9-11(27-18(20,21)22)4-5-15(14)25-10/h2-5,7,9,25H,6,8H2,1H3,(H,24,26)
InChIKey WBPBZJALVPENLT-UHFFFAOYSA-N
Molecular Weight 397.785 g/mol
SMILES C1=CN=C(C(C(NCCC2=C(NC=3C2=CC(OC(F)(F)F)=CC3)C)=O)=C1)Cl