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{(4S,5S)-5-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrrol-3-yl}-phenyl-methanone
SpectraBase Compound ID 7oNetH7zPTS
InChI InChI=1S/C27H22N2O2S/c1-31-21-14-12-18(13-15-21)23-17-32-27(29-23)25-24(19-8-4-2-5-9-19)22(16-28-25)26(30)20-10-6-3-7-11-20/h2-17,24-25,28H,1H3/t24-,25-/m0/s1
InChIKey HACXHJQYWVKEOD-DQEYMECFSA-N
Mol Weight 438.55 g/mol
Molecular Formula C27H22N2O2S
Exact Mass 438.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7M2X3DzieRU
Name {(4S,5S)-5-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrrol-3-yl}-phenyl-methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22N2O2S
InChI InChI=1S/C27H22N2O2S/c1-31-21-14-12-18(13-15-21)23-17-32-27(29-23)25-24(19-8-4-2-5-9-19)22(16-28-25)26(30)20-10-6-3-7-11-20/h2-17,24-25,28H,1H3/t24-,25-/m0/s1
InChIKey HACXHJQYWVKEOD-DQEYMECFSA-N
Molecular Weight 438.545 g/mol
SMILES N1[C@@]([C@](C(=C1)C(=O)c1ccccc1)(c1ccccc1)[H])(c1nc(-c2ccc(cc2)OC)cs1)[H]
SPLASH splash10-0570-8904300000-04733ed3f07664b8187a
Source of Spectrum MN-1999-118-4
Synonyms 2-[4'-(p-Methoxyphenyl)thiazol-2'-yl]-3-phenyl-4-benzoylpyrrole {(4S,5S)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-phenyl-4,5-dihydro-1H-pyrrol-3-yl}(phenyl)methanone
Wiley ID 1546398