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2-amino-5-(3-bromophenyl)-4,4-diphenyl-3-pyrrolecarboxylic acid ethyl ester
SpectraBase Compound ID 3SEqnNhowCW
InChI InChI=1S/C25H21BrN2O2/c1-2-30-24(29)21-23(27)28-22(17-10-9-15-20(26)16-17)25(21,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16H,2,27H2,1H3
InChIKey XYYBWXBEPJFUAS-UHFFFAOYSA-N
Mol Weight 461.36 g/mol
Molecular Formula C25H21BrN2O2
Exact Mass 460.078641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2aa0YfrZaK
Name 2-amino-5-(3-bromophenyl)-4,4-diphenyl-3-pyrrolecarboxylic acid ethyl ester
Alternate Name(s) 2-amino-5-(3-bromophenyl)-4,4-diphenyl-pyrrole-3-carboxylic acid ethyl ester ethyl 2-amino-5-(3-bromophenyl)-4,4-diphenyl-pyrrole-3-carboxylate ethyl 2-azanyl-5-(3-bromophenyl)-4,4-diphenyl-pyrrole-3-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C25H21BrN2O2
InChI InChI=1S/C25H21BrN2O2/c1-2-30-24(29)21-23(27)28-22(17-10-9-15-20(26)16-17)25(21,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16H,2,27H2,1H3
InChIKey XYYBWXBEPJFUAS-UHFFFAOYSA-N
Molecular Weight 461.359 g/mol
SMILES NC=1N=C(C(C1C(=O)OCC)(c1ccccc1)c1ccccc1)c1cc(ccc1)Br
SPLASH splash10-000i-0009300000-d81a350c41a447952ab7
Source of Spectrum K-2001-2838-3
Wiley ID 1579938