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rac-2-[3-(4-Cyanophenyl)-2-(2,6-dimethylhept-5-en-1-yl)-5-phenyl-1H-pyrrol-1-yl]acetamide
SpectraBase Compound ID 1Gn6VUcoVju
InChI InChI=1S/C28H31N3O/c1-20(2)8-7-9-21(3)16-27-25(23-14-12-22(18-29)13-15-23)17-26(31(27)19-28(30)32)24-10-5-4-6-11-24/h4-6,8,10-15,17,21H,7,9,16,19H2,1-3H3,(H2,30,32)
InChIKey JIXZPRLSBJDLJN-UHFFFAOYSA-N
Mol Weight 425.58 g/mol
Molecular Formula C28H31N3O
Exact Mass 425.246713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Y9aKiAo5jZ
Name rac-2-[3-(4-Cyanophenyl)-2-(2,6-dimethylhept-5-en-1-yl)-5-phenyl-1H-pyrrol-1-yl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31N3O
InChI InChI=1S/C28H31N3O/c1-20(2)8-7-9-21(3)16-27-25(23-14-12-22(18-29)13-15-23)17-26(31(27)19-28(30)32)24-10-5-4-6-11-24/h4-6,8,10-15,17,21H,7,9,16,19H2,1-3H3,(H2,30,32)
InChIKey JIXZPRLSBJDLJN-UHFFFAOYSA-N
Molecular Weight 425.576 g/mol
SMILES NC(C[n]1c(c(-c2ccc(C#N)cc2)cc1-c1ccccc1)CC(CCC=C(C)C)C)=O
SPLASH splash10-03fr-0049800000-f2ba04d3a92da9695152
Source of Spectrum CV-2004-2405-8
Synonyms 2-[3-(4-cyanophenyl)-2-(2,6-dimethyl-5-heptenyl)-5-phenyl-1H-pyrrol-1-yl]acetamide rac-2-[3-(4-Cyanophenyl)-2-(2,6-dimethylhept-2-en-1-yl)-5-phenyl-1H-pyrrol-1-yl]acetamide
Wiley ID 1611574