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6-(Dichloromethyl)-5-salicyloyl-1-cyclohexyl-3-cyano-1H-pyrrolo[2,3-b]pyridine
SpectraBase Compound ID HKQLBcnft1D
InChI InChI=1S/C22H19Cl2N3O2/c23-21(24)19-17(20(29)15-8-4-5-9-18(15)28)10-16-13(11-25)12-27(22(16)26-19)14-6-2-1-3-7-14/h4-5,8-10,12,14,21,28H,1-3,6-7H2
InChIKey GSSYTDJISQCVEW-UHFFFAOYSA-N
Mol Weight 428.32 g/mol
Molecular Formula C22H19Cl2N3O2
Exact Mass 427.085432 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hy7184R3S4y
Name 6-(Dichloromethyl)-5-salicyloyl-1-cyclohexyl-3-cyano-1H-pyrrolo[2,3-b]pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19Cl2N3O2
InChI InChI=1S/C22H19Cl2N3O2/c23-21(24)19-17(20(29)15-8-4-5-9-18(15)28)10-16-13(11-25)12-27(22(16)26-19)14-6-2-1-3-7-14/h4-5,8-10,12,14,21,28H,1-3,6-7H2
InChIKey GSSYTDJISQCVEW-UHFFFAOYSA-N
Molecular Weight 428.319 g/mol
SMILES Oc1c(C(c2cc3c(C#N)c[n](c3nc2C(Cl)Cl)C2CCCCC2)=O)cccc1
SPLASH splash10-01ox-0097100000-087682433afd2fd23626
Source of Spectrum F4-43-475-24e
Wiley ID 1675171