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Ethyl Ester of (S)-2-[2-(4-Bromophenyl)-5-methyl-1H-pyrrol-1H-yl]-3-methylbutanoic Acid
SpectraBase Compound ID ITYRbAWm08D
InChI InChI=1S/C18H22BrNO2/c1-5-22-18(21)17(12(2)3)20-13(4)6-11-16(20)14-7-9-15(19)10-8-14/h6-12,17H,5H2,1-4H3/t17-/m0/s1
InChIKey XBHKWGABOLDMOW-KRWDZBQOSA-N
Mol Weight 364.28 g/mol
Molecular Formula C18H22BrNO2
Exact Mass 363.083392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQoQIiYUhn0
Name Ethyl Ester of (S)-2-[2-(4-Bromophenyl)-5-methyl-1H-pyrrol-1H-yl]-3-methylbutanoic Acid
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Formula C18H22BrNO2
InChI InChI=1S/C18H22BrNO2/c1-5-22-18(21)17(12(2)3)20-13(4)6-11-16(20)14-7-9-15(19)10-8-14/h6-12,17H,5H2,1-4H3/t17-/m0/s1
InChIKey XBHKWGABOLDMOW-KRWDZBQOSA-N
Molecular Weight 364.283 g/mol
SMILES c1([n](c(cc1)C)[C@](C(=O)OCC)(C(C)C)[H])-c1ccc(cc1)Br
SPLASH splash10-014i-3596000000-c489b1c1b6d71263d8a8
Source of Spectrum HC-47-192-4h
Synonyms Ethyl Ester of 2-[2-(4-Bromophenyl)-5-methyl-1H-pyrrol-1H-yl]-3-methylbutanoic Acid (S)-ethyl 2-(2-(4-bromophenyl)-5-methyl-1H-pyrrol-1-yl)-3-methylbutanoate
Wiley ID 1734046