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5-Chloro-3'-(4-chlorophenyl)-6'-(4-methoxyphenyl)-2-oxo-1'-phenyl-1',7'-dihydrospiro(indoline-3,4'-pyrazolo[3,4-b]pyridine)-5'-carbonitrile

View entire compound with spectra: 1 MS (GC)

5-Chloro-3'-(4-chlorophenyl)-6'-(4-methoxyphenyl)-2-oxo-1'-phenyl-1',7'-dihydrospiro(indoline-3,4'-pyrazolo[3,4-b]pyridine)-5'-carbonitrile
SpectraBase Compound ID LT52FqNLWtV
InChI InChI=1S/C33H21Cl2N5O2/c1-42-24-14-9-19(10-15-24)29-26(18-36)33(25-17-22(35)13-16-27(25)37-32(33)41)28-30(20-7-11-21(34)12-8-20)39-40(31(28)38-29)23-5-3-2-4-6-23/h2-17,38H,1H3,(H,37,41)
InChIKey JNFKDHBEXGGFCF-UHFFFAOYSA-N
Mol Weight 590.5 g/mol
Molecular Formula C33H21Cl2N5O2
Exact Mass 589.10723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8GuDK3KqD5
Name 5-Chloro-3'-(4-chlorophenyl)-6'-(4-methoxyphenyl)-2-oxo-1'-phenyl-1',7'-dihydrospiro(indoline-3,4'-pyrazolo[3,4-b]pyridine)-5'-carbonitrile
Appearance Faint orange crystalline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H21Cl2N5O2
InChI InChI=1S/C33H21Cl2N5O2/c1-42-24-14-9-19(10-15-24)29-26(18-36)33(25-17-22(35)13-16-27(25)37-32(33)41)28-30(20-7-11-21(34)12-8-20)39-40(31(28)38-29)23-5-3-2-4-6-23/h2-17,38H,1H3,(H,37,41)
InChIKey JNFKDHBEXGGFCF-UHFFFAOYSA-N
Instrument Name Thermo Scientific ISQ LT GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202100302
Molecular Weight 590.470 g/mol
SMILES N1c2c(C3(C(Nc4c3cc(cc4)Cl)=O)C(=C1c1ccc(cc1)OC)C#N)c(n[n]2-c1ccccc1)-c1ccc(cc1)Cl
SPLASH splash10-016r-8572790000-7bd6127de43be661701d
Source of Spectrum APC-355-SM72-14f
Wiley ID 1868695