For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-amino-2-[2-[6-(4-chloro-3-methyl-phenyl)pyridazin-3-yl]oxyacetyl]-5-(1,3-diphenylpyrazol-4-yl)-1,5-dihydropyrazole-4-carbonitrile
SpectraBase Compound ID 8Wm05N4kAKH
InChI InChI=1S/C32H25ClN8O2/c1-20-16-22(12-13-26(20)33)27-14-15-28(37-36-27)43-19-29(42)41-32(35)24(17-34)31(39-41)25-18-40(23-10-6-3-7-11-23)38-30(25)21-8-4-2-5-9-21/h2-16,18,31,39H,19,35H2,1H3
InChIKey HHTNMZMXOLPGFV-UHFFFAOYSA-N
Mol Weight 589.1 g/mol
Molecular Formula C32H25ClN8O2
Exact Mass 588.1789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2SZjhrmlns
Name 3-amino-2-[2-[6-(4-chloro-3-methyl-phenyl)pyridazin-3-yl]oxyacetyl]-5-(1,3-diphenylpyrazol-4-yl)-1,5-dihydropyrazole-4-carbonitrile
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H25ClN8O2
InChI InChI=1S/C32H25ClN8O2/c1-20-16-22(12-13-26(20)33)27-14-15-28(37-36-27)43-19-29(42)41-32(35)24(17-34)31(39-41)25-18-40(23-10-6-3-7-11-23)38-30(25)21-8-4-2-5-9-21/h2-16,18,31,39H,19,35H2,1H3
InChIKey HHTNMZMXOLPGFV-UHFFFAOYSA-N
Instrument Name Schimadzu-GCMS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3662
Molecular Weight 589.059 g/mol
SMILES NC1=C(C(c2c[n](-c3ccccc3)nc2-c2ccccc2)NN1C(COc1ccc(-c2cc(c(cc2)Cl)C)nn1)=O)C#N
SPLASH splash10-014i-9236430000-7ce018b0383a42d9f2ec
Source of Spectrum Y-56-SM29-11
Wiley ID 1861245