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4-(3,4-bis(2,5-dimethylthiophen-3-yl)-2,5-dihydro-1H-pyrrol-1-yl)phenyl benzoate
SpectraBase Compound ID Kf11wCnRNXN
InChI InChI=1S/C29H27NO2S2/c1-18-14-25(20(3)33-18)27-16-30(17-28(27)26-15-19(2)34-21(26)4)23-10-12-24(13-11-23)32-29(31)22-8-6-5-7-9-22/h5-15H,16-17H2,1-4H3
InChIKey YYDYPUOUHGPXKE-UHFFFAOYSA-N
Mol Weight 485.66 g/mol
Molecular Formula C29H27NO2S2
Exact Mass 485.148321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8XFpJ9ZbHa
Name 4-(3,4-bis(2,5-dimethylthiophen-3-yl)-2,5-dihydro-1H-pyrrol-1-yl)phenyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H27NO2S2
InChI InChI=1S/C29H27NO2S2/c1-18-14-25(20(3)33-18)27-16-30(17-28(27)26-15-19(2)34-21(26)4)23-10-12-24(13-11-23)32-29(31)22-8-6-5-7-9-22/h5-15H,16-17H2,1-4H3
InChIKey YYDYPUOUHGPXKE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200690050
Molecular Weight 485.660 g/mol
SMILES c1cccc(c1)C(Oc1ccc(cc1)N1CC(=C(C1)c1c(sc(c1)C)C)c1c(sc(c1)C)C)=O
SPLASH splash10-0a4i-3911300000-46acad754614d42fd449
Source of Spectrum CJC-24-238-2a
Wiley ID 1774248