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2-(4-Dimethylaminophenyl)-3,3-diphenyl-4-ethoxycarbonyl-5-amino-3H-pyrrole
SpectraBase Compound ID LN8QqFCETmG
InChI InChI=1S/C27H27N3O2/c1-4-32-26(31)23-25(28)29-24(19-15-17-22(18-16-19)30(2)3)27(23,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18H,4,28H2,1-3H3
InChIKey WKOBVVIZILVQDU-UHFFFAOYSA-N
Mol Weight 425.53 g/mol
Molecular Formula C27H27N3O2
Exact Mass 425.210327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJzTRt8gSAw
Name 2-(4-Dimethylaminophenyl)-3,3-diphenyl-4-ethoxycarbonyl-5-amino-3H-pyrrole
Alternate Name(s) 2-amino-5-(4-dimethylaminophenyl)-4,4-diphenyl-3-pyrrolecarboxylic acid ethyl ester 2-amino-5-(4-dimethylaminophenyl)-4,4-diphenyl-pyrrole-3-carboxylic acid ethyl ester ethyl 2-amino-5-(4-dimethylaminophenyl)-4,4-diphenyl-pyrrole-3-carboxylate ethyl 2-azanyl-5-(4-dimethylaminophenyl)-4,4-diphenyl-pyrrole-3-carboxylate ethyl 5-amino-2-[4-(dimethylamino)phenyl]-3,3-diphenyl-3H-pyrrole-4-carboxylate 2-amino-5-[4-(dimethylamino)phenyl]-4,4-diphenyl-3-pyrrolecarboxylic acid ethyl ester ethyl 2-amino-5-[4-(dimethylamino)phenyl]-4,4-diphenylpyrrole-3-carboxylate ethyl 2-amino-5-[4-(dimethylamino)phenyl]-4,4-diphenyl-pyrrole-3-carboxylate ethyl 2-azanyl-5-[4-(dimethylamino)phenyl]-4,4-diphenyl-pyrrole-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C27H27N3O2
InChI InChI=1S/C27H27N3O2/c1-4-32-26(31)23-25(28)29-24(19-15-17-22(18-16-19)30(2)3)27(23,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18H,4,28H2,1-3H3
InChIKey WKOBVVIZILVQDU-UHFFFAOYSA-N
Molecular Weight 425.532 g/mol
SMILES NC=1N=C(C(C1C(=O)OCC)(c1ccccc1)c1ccccc1)c1ccc(cc1)N(C)C
SPLASH splash10-0udi-0009200000-e857d445dacf457fffcd
Source of Spectrum K-2001-2838-3
Wiley ID 1579937