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1,3-Bis(4-butylphenyl)-5-hexyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione
SpectraBase Compound ID EVad0dpj4kQ
InChI InChI=1S/C32H39NO2S/c1-4-7-10-11-22-33-31(34)27-28(32(33)35)30(26-20-16-24(17-21-26)13-9-6-3)36-29(27)25-18-14-23(15-19-25)12-8-5-2/h14-21H,4-13,22H2,1-3H3
InChIKey DIEZSKBTVFCDFG-UHFFFAOYSA-N
Mol Weight 501.7 g/mol
Molecular Formula C32H39NO2S
Exact Mass 501.270151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMu8zLWLPi0
Name 1,3-Bis(4-butylphenyl)-5-hexyl-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H39NO2S
InChI InChI=1S/C32H39NO2S/c1-4-7-10-11-22-33-31(34)27-28(32(33)35)30(26-20-16-24(17-21-26)13-9-6-3)36-29(27)25-18-14-23(15-19-25)12-8-5-2/h14-21H,4-13,22H2,1-3H3
InChIKey DIEZSKBTVFCDFG-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ra05380j
Molecular Weight 501.729 g/mol
SMILES C1(=O)c2c(C(=O)N1CCCCCC)c(-c1ccc(cc1)CCCC)sc2-c1ccc(cc1)CCCC
SPLASH splash10-0f79-9300020000-1735038f997a3b7104d6
Source of Spectrum RSA-4-35875-3q
Wiley ID 1749679