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N(1)-{4'-[1"-Phenyl-5"-(p-fluorophenyl)-4",5"-dihydro-(1H)-pyrazolyl]phenyl}-5-chloro-2-methoxybenzamide
SpectraBase Compound ID F55kso6QzAC
InChI InChI=1S/C29H23ClFN3O2/c1-36-28-16-11-21(30)17-25(28)29(35)32-23-14-9-19(10-15-23)26-18-27(20-7-12-22(31)13-8-20)34(33-26)24-5-3-2-4-6-24/h2-17,27H,18H2,1H3,(H,32,35)
InChIKey PNCCBMMYHBOMEZ-UHFFFAOYSA-N
Mol Weight 499.97 g/mol
Molecular Formula C29H23ClFN3O2
Exact Mass 499.146283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSDSzzjsQZZ
Name N(1)-{4'-[1"-Phenyl-5"-(p-fluorophenyl)-4",5"-dihydro-(1H)-pyrazolyl]phenyl}-5-chloro-2-methoxybenzamide
Alternate Name(s) 5-chloro-N-[4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methoxybenzamide 5-chloro-N-[4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methoxy-benzamide 5-chloranyl-N-[4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methoxy-benzamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H23ClFN3O2
InChI InChI=1S/C29H23ClFN3O2/c1-36-28-16-11-21(30)17-25(28)29(35)32-23-14-9-19(10-15-23)26-18-27(20-7-12-22(31)13-8-20)34(33-26)24-5-3-2-4-6-24/h2-17,27H,18H2,1H3,(H,32,35)
InChIKey PNCCBMMYHBOMEZ-UHFFFAOYSA-N
Molecular Weight 499.973 g/mol
SMILES N(C(c1c(ccc(c1)Cl)OC)=O)c1ccc(C2=NN(C(c3ccc(cc3)F)C2)c2ccccc2)cc1
SPLASH splash10-0f6t-0000970000-b2c0ede35c089259b3d2
Source of Spectrum AH-138-1025-8
Wiley ID 1612488