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2,2'-(5-Octyl-4,6-dioxo-5,6-dihydro-4H-thieno[3,4-c]pyrrole-1,3-diyl)dibenzonitrile
SpectraBase Compound ID 3k7HQp4g1pa
InChI InChI=1S/C28H25N3O2S/c1-2-3-4-5-6-11-16-31-27(32)23-24(28(31)33)26(22-15-10-8-13-20(22)18-30)34-25(23)21-14-9-7-12-19(21)17-29/h7-10,12-15H,2-6,11,16H2,1H3
InChIKey JFWCQNVWOMKJPD-UHFFFAOYSA-N
Mol Weight 467.59 g/mol
Molecular Formula C28H25N3O2S
Exact Mass 467.166748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KuQxk6ld5sq
Name 2,2'-(5-Octyl-4,6-dioxo-5,6-dihydro-4H-thieno[3,4-c]pyrrole-1,3-diyl)dibenzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H25N3O2S
InChI InChI=1S/C28H25N3O2S/c1-2-3-4-5-6-11-16-31-27(32)23-24(28(31)33)26(22-15-10-8-13-20(22)18-30)34-25(23)21-14-9-7-12-19(21)17-29/h7-10,12-15H,2-6,11,16H2,1H3
InChIKey JFWCQNVWOMKJPD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201400524
Molecular Weight 467.587 g/mol
SMILES C1(=O)c2c(sc(c2C(=O)N1CCCCCCCC)-c1ccccc1C#N)-c1ccccc1C#N
SPLASH splash10-0gb9-0396500000-fd8a0f112360b636fb14
Source of Spectrum ASC-356-3761/SM13-4d
Wiley ID 1769763