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N(1)-{4'-[3"-Oxo-4"-(p-fluorophenyl)-3",3"a,4",5"-tetrahydro-2"-methyl-(2H)-6"-indazolyl)]phenyl}-5-chloro-2-methoxybenzamide

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N(1)-{4'-[3"-Oxo-4"-(p-fluorophenyl)-3",3"a,4",5"-tetrahydro-2"-methyl-(2H)-6"-indazolyl)]phenyl}-5-chloro-2-methoxybenzamide
SpectraBase Compound ID B9GqT9PeDCZ
InChI InChI=1S/C28H23ClFN3O3/c1-33-28(35)26-22(17-3-8-20(30)9-4-17)13-18(14-24(26)32-33)16-5-10-21(11-6-16)31-27(34)23-15-19(29)7-12-25(23)36-2/h3-13,15,22,26H,14H2,1-2H3,(H,31,34)/t22?,26-/m0/s1
InChIKey FEVYFRCPLBSEIF-XGCAABAXSA-N
Mol Weight 503.96 g/mol
Molecular Formula C28H23ClFN3O3
Exact Mass 503.141197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hrr8cJIokNs
Name N(1)-{4'-[3"-Oxo-4"-(p-fluorophenyl)-3",3"a,4",5"-tetrahydro-2"-methyl-(2H)-6"-indazolyl)]phenyl}-5-chloro-2-methoxybenzamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23ClFN3O3
InChI InChI=1S/C28H23ClFN3O3/c1-33-28(35)26-22(17-3-8-20(30)9-4-17)13-18(14-24(26)32-33)16-5-10-21(11-6-16)31-27(34)23-15-19(29)7-12-25(23)36-2/h3-13,15,22,26H,14H2,1-2H3,(H,31,34)/t22?,26-/m0/s1
InChIKey FEVYFRCPLBSEIF-XGCAABAXSA-N
Molecular Weight 503.961 g/mol
SMILES N(C(c1c(ccc(c1)Cl)OC)=O)c1ccc(C2=CC([C@]3(C(=NN(C3=O)C)C2)[H])c2ccc(cc2)F)cc1
SPLASH splash10-0udi-0000090000-0aeffd3037fddb0cab27
Source of Spectrum AH-138-1026-15
Wiley ID 1612482