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5-Octyl-1,3-di-o-tolyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione
SpectraBase Compound ID 2XZ9SYj9eBD
InChI InChI=1S/C28H31NO2S/c1-4-5-6-7-8-13-18-29-27(30)23-24(28(29)31)26(22-17-12-10-15-20(22)3)32-25(23)21-16-11-9-14-19(21)2/h9-12,14-17H,4-8,13,18H2,1-3H3
InChIKey SQNMHLDDVSTPMP-UHFFFAOYSA-N
Mol Weight 445.62 g/mol
Molecular Formula C28H31NO2S
Exact Mass 445.20755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYQAGfx0flE
Name 5-Octyl-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 C28H31NO2S
InChI InChI=1S/C28H31NO2S/c1-4-5-6-7-8-13-18-29-27(30)23-24(28(29)31)26(22-17-12-10-15-20(22)3)32-25(23)21-16-11-9-14-19(21)2/h9-12,14-17H,4-8,13,18H2,1-3H3
InChIKey SQNMHLDDVSTPMP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201400524
Molecular Weight 445.621 g/mol
SMILES C1(=O)c2c(sc(c2C(=O)N1CCCCCCCC)-c1ccccc1C)-c1ccccc1C
SPLASH splash10-052b-9003600000-23f89e66d426301adccd
Source of Spectrum ASC-356-3761/SM12-4b
Wiley ID 1769761