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Tert-Butyl Ester of (S)-2-[2-(4-Bromophenyl)-5-methyl-1H-pyrrol-1-yl]-3-phenylpropionic Acid
SpectraBase Compound ID I4KGLEfPeJ
InChI InChI=1S/C24H26BrNO2/c1-17-10-15-21(19-11-13-20(25)14-12-19)26(17)22(23(27)28-24(2,3)4)16-18-8-6-5-7-9-18/h5-15,22H,16H2,1-4H3/t22-/m0/s1
InChIKey BOGMZPIUVVFOKS-QFIPXVFZSA-N
Mol Weight 440.38 g/mol
Molecular Formula C24H26BrNO2
Exact Mass 439.114692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7CqedmT95ke
Name Tert-Butyl Ester of (S)-2-[2-(4-Bromophenyl)-5-methyl-1H-pyrrol-1-yl]-3-phenylpropionic Acid
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Formula C24H26BrNO2
InChI InChI=1S/C24H26BrNO2/c1-17-10-15-21(19-11-13-20(25)14-12-19)26(17)22(23(27)28-24(2,3)4)16-18-8-6-5-7-9-18/h5-15,22H,16H2,1-4H3/t22-/m0/s1
InChIKey BOGMZPIUVVFOKS-QFIPXVFZSA-N
Molecular Weight 440.381 g/mol
SMILES c1([n](c(cc1)C)[C@](C(OC(C)(C)C)=O)(Cc1ccccc1)[H])-c1ccc(cc1)Br
SPLASH splash10-000f-8963600000-8d94bac6b00020a66721
Source of Spectrum HC-47-193-4j
Synonyms Tert-Butyl Ester of 2-[2-(4-Bromophenyl)-5-methyl-1H-pyrrol-1-yl]-3-phenylpropionic Acid (S)-tert-butyl 2-(2-(4-bromophenyl)-5-methyl-1H-pyrrol-1-yl)-3-phenylpropanoate
Wiley ID 1734044