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2-(2-Ethoxy-4,6-dimethylphenyl)-3-methyl-4-phenyl-1-(1-(S)-phenylethyl)-1H-pyrrole
SpectraBase Compound ID 6CXOwe6mDyP
InChI InChI=1S/C29H31NO/c1-6-31-27-18-20(2)17-21(3)28(27)29-22(4)26(25-15-11-8-12-16-25)19-30(29)23(5)24-13-9-7-10-14-24/h7-19,23H,6H2,1-5H3/t23-/m0/s1
InChIKey IAMHRKVNMKEHAI-QHCPKHFHSA-N
Mol Weight 409.57 g/mol
Molecular Formula C29H31NO
Exact Mass 409.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jg50pnGPc51
Name 2-(2-Ethoxy-4,6-dimethylphenyl)-3-methyl-4-phenyl-1-(1-(S)-phenylethyl)-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H31NO
InChI InChI=1S/C29H31NO/c1-6-31-27-18-20(2)17-21(3)28(27)29-22(4)26(25-15-11-8-12-16-25)19-30(29)23(5)24-13-9-7-10-14-24/h7-19,23H,6H2,1-5H3/t23-/m0/s1
InChIKey IAMHRKVNMKEHAI-QHCPKHFHSA-N
Molecular Weight 409.573 g/mol
SMILES c1([n](cc(c1C)-c1ccccc1)[C@](c1ccccc1)(C)[H])-c1c(cc(cc1C)C)OCC
SPLASH splash10-0a4i-2920700000-2dd474f06d31de060566
Source of Spectrum KD-15-143-9
Synonyms 2-(2-Ethoxy-4,6-dimethylphenyl)-3-methyl-4-phenyl-1-[(1S)-1-phenylethyl]-1H-pyrrole 3,5-Dimethyl-2-{3-methyl-4-phenyl-1-[(1S)-1-phenylethyl]-1H-pyrrol-2-yl}phenyl ethyl ether
Wiley ID 1636662