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4,4'-(5-Hexyl-4,6-dioxo-5,6-dihydro-4H-thieno[3,4-c]pyrrole-1,3-diyl)dibenzaldehyde
SpectraBase Compound ID InMQ2abotxY
InChI InChI=1S/C26H23NO4S/c1-2-3-4-5-14-27-25(30)21-22(26(27)31)24(20-12-8-18(16-29)9-13-20)32-23(21)19-10-6-17(15-28)7-11-19/h6-13,15-16H,2-5,14H2,1H3
InChIKey HGPZHPQLUCYSOW-UHFFFAOYSA-N
Mol Weight 445.53 g/mol
Molecular Formula C26H23NO4S
Exact Mass 445.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CL1L3SaGCBi
Name 4,4'-(5-Hexyl-4,6-dioxo-5,6-dihydro-4H-thieno[3,4-c]pyrrole-1,3-diyl)dibenzaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23NO4S
InChI InChI=1S/C26H23NO4S/c1-2-3-4-5-14-27-25(30)21-22(26(27)31)24(20-12-8-18(16-29)9-13-20)32-23(21)19-10-6-17(15-28)7-11-19/h6-13,15-16H,2-5,14H2,1H3
InChIKey HGPZHPQLUCYSOW-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ra05380j
Molecular Weight 445.533 g/mol
SMILES C1(=O)c2c(sc(-c3ccc(cc3)C=O)c2C(=O)N1CCCCCC)-c1ccc(cc1)C=O
SPLASH splash10-0592-9302500000-335040821271c29b9b2e
Source of Spectrum RSA-4-35874-3f
Wiley ID 1749678