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3-(2,4-Dichlorophenyl)-1-(4-methoxyphenyl)tetrahydro-1H-pyrrolizine-2,2(3H)dicarbonitrile
SpectraBase Compound ID 6TX40PS7Rt0
InChI InChI=1S/C22H19Cl2N3O/c1-28-16-7-4-14(5-8-16)21-22(12-25,13-26)20(19-3-2-10-27(19)21)17-9-6-15(23)11-18(17)24/h4-9,11,19-21H,2-3,10H2,1H3
InChIKey BZTRSTPZJPRAIA-UHFFFAOYSA-N
Mol Weight 412.32 g/mol
Molecular Formula C22H19Cl2N3O
Exact Mass 411.090518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59s5aoLyaW
Name 3-(2,4-Dichlorophenyl)-1-(4-methoxyphenyl)tetrahydro-1H-pyrrolizine-2,2(3H)dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19Cl2N3O
InChI InChI=1S/C22H19Cl2N3O/c1-28-16-7-4-14(5-8-16)21-22(12-25,13-26)20(19-3-2-10-27(19)21)17-9-6-15(23)11-18(17)24/h4-9,11,19-21H,2-3,10H2,1H3
InChIKey BZTRSTPZJPRAIA-UHFFFAOYSA-N
Molecular Weight 412.320 g/mol
SMILES C1(C(C2CCCN2C1c1ccc(cc1)OC)c1c(cc(cc1)Cl)Cl)(C#N)C#N
SPLASH splash10-03k9-0720900000-61d26fd302f2e4395f4f
Source of Spectrum O1-46-676-4c
Wiley ID 1669224