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N(1)-{4'-[3"-Methyl-4"-(p-fluorophenyl)-4",5"-dihydro-4"-p(3aH)-6"-indazolyl]phenyl]-5-chloro-2-methoxybenzamide
SpectraBase Compound ID 1AjwoCAfrse
InChI InChI=1S/C28H23ClFN3O2/c1-16-27-23(18-3-8-21(30)9-4-18)13-19(14-25(27)33-32-16)17-5-10-22(11-6-17)31-28(34)24-15-20(29)7-12-26(24)35-2/h3-12,14-15,23,27H,13H2,1-2H3,(H,31,34)/t23?,27-/m1/s1
InChIKey DSJLGRZJVZBDEY-IQHZPMLTSA-N
Mol Weight 487.96 g/mol
Molecular Formula C28H23ClFN3O2
Exact Mass 487.146283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16l5ocbYyKd
Name N(1)-{4'-[3"-Methyl-4"-(p-fluorophenyl)-4",5"-dihydro-4"-p(3aH)-6"-indazolyl]phenyl]-5-chloro-2-methoxybenzamide
Comments Less than 3 mono-isotopic peaks
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Formula C28H23ClFN3O2
InChI InChI=1S/C28H23ClFN3O2/c1-16-27-23(18-3-8-21(30)9-4-18)13-19(14-25(27)33-32-16)17-5-10-22(11-6-17)31-28(34)24-15-20(29)7-12-26(24)35-2/h3-12,14-15,23,27H,13H2,1-2H3,(H,31,34)/t23?,27-/m1/s1
InChIKey DSJLGRZJVZBDEY-IQHZPMLTSA-N
Molecular Weight 487.962 g/mol
SMILES N(C(c1c(ccc(c1)Cl)OC)=O)c1ccc(C2=CC3=NN=C([C@@]3(C(c3ccc(cc3)F)C2)[H])C)cc1
SPLASH splash10-0udi-0090200000-047464039227e67d5c0d
Source of Spectrum AH-138-1026-17
Wiley ID 1612480