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5,6-dicyano-3-propyl-2-(p-tolyl)-1H-indol-1-yl propionate
SpectraBase Compound ID KbmtwDXh7uN
InChI InChI=1S/C23H19N3O3/c1-4-20(27)22-18-10-16(12-24)17(13-25)11-19(18)26(29-21(28)5-2)23(22)15-8-6-14(3)7-9-15/h6-11H,4-5H2,1-3H3
InChIKey AJEMRKBMOHHJON-UHFFFAOYSA-N
Mol Weight 385.42 g/mol
Molecular Formula C23H19N3O3
Exact Mass 385.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tGtkrp9SAz
Name 5,6-dicyano-3-propyl-2-(p-tolyl)-1H-indol-1-yl propionate
Appearance White crystalline precipitate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19N3O3
InChI InChI=1S/C23H19N3O3/c1-4-20(27)22-18-10-16(12-24)17(13-25)11-19(18)26(29-21(28)5-2)23(22)15-8-6-14(3)7-9-15/h6-11H,4-5H2,1-3H3
InChIKey AJEMRKBMOHHJON-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 385.423 g/mol
SMILES c1(cc2c(cc1C#N)[n](c(c2C(CC)=O)-c1ccc(cc1)C)OC(CC)=O)C#N
SPLASH splash10-0zfr-7059000000-485b84eb3ddd88010a3a
Source of Spectrum RU2640351C1
Wiley ID 1866062