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1,1'-(2,3-Diphenylbutane-1,4-diyl)bis[3-ethyl-3-(4'-chlorphenyl)-1H-pyrrol-2(3H)-one]
SpectraBase Compound ID HYg2aMKBSm4
InChI InChI=1S/C40H38Cl2N2O2/c1-3-39(31-15-19-33(41)20-16-31)23-25-43(37(39)45)27-35(29-11-7-5-8-12-29)36(30-13-9-6-10-14-30)28-44-26-24-40(4-2,38(44)46)32-17-21-34(42)22-18-32/h5-26,35-36H,3-4,27-28H2,1-2H3
InChIKey MSVTZFCCFCRNHB-UHFFFAOYSA-N
Mol Weight 649.7 g/mol
Molecular Formula C40H38Cl2N2O2
Exact Mass 648.231034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID X2m2NIyYq
Name 1,1'-(2,3-Diphenylbutane-1,4-diyl)bis[3-ethyl-3-(4'-chlorphenyl)-1H-pyrrol-2(3H)-one]
Appearance Red powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H38Cl2N2O2
InChI InChI=1S/C40H38Cl2N2O2/c1-3-39(31-15-19-33(41)20-16-31)23-25-43(37(39)45)27-35(29-11-7-5-8-12-29)36(30-13-9-6-10-14-30)28-44-26-24-40(4-2,38(44)46)32-17-21-34(42)22-18-32/h5-26,35-36H,3-4,27-28H2,1-2H3
InChIKey MSVTZFCCFCRNHB-UHFFFAOYSA-N
Instrument Name Finnigan MAT SSQ 710
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0013.331
Molecular Weight 649.662 g/mol
SMILES C(C(C(CN1C(C(C=C1)(c1ccc(cc1)Cl)CC)=O)c1ccccc1)c1ccccc1)N1C(C(C=C1)(c1ccc(cc1)Cl)CC)=O
SPLASH splash10-05mo-5910000000-736aa51ea9d1735115b6
Source of Spectrum ARK-2012-467-4b
Wiley ID 1864570