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5-Hexyl-1,3-di-o-tolyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione
SpectraBase Compound ID 8gBRPJX20cF
InChI InChI=1S/C26H27NO2S/c1-4-5-6-11-16-27-25(28)21-22(26(27)29)24(20-15-10-8-13-18(20)3)30-23(21)19-14-9-7-12-17(19)2/h7-10,12-15H,4-6,11,16H2,1-3H3
InChIKey HCBLVGMLTOXGIN-UHFFFAOYSA-N
Mol Weight 417.57 g/mol
Molecular Formula C26H27NO2S
Exact Mass 417.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Au32rQ4Bf2z
Name 5-Hexyl-1,3-di-o-tolyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27NO2S
InChI InChI=1S/C26H27NO2S/c1-4-5-6-11-16-27-25(28)21-22(26(27)29)24(20-15-10-8-13-18(20)3)30-23(21)19-14-9-7-12-17(19)2/h7-10,12-15H,4-6,11,16H2,1-3H3
InChIKey HCBLVGMLTOXGIN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201400524
Molecular Weight 417.567 g/mol
SMILES C1(=O)c2c(sc(c2C(=O)N1CCCCCC)-c1ccccc1C)-c1ccccc1C
SPLASH splash10-0aos-9003600000-9c60119626df62a58828
Source of Spectrum ASC-356-3761/SM7-3d
Wiley ID 1769755