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4,4'-(5-Hexyl-4,6-dioxo-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-diyl)dibenzonitrile
SpectraBase Compound ID HJNCEsKtprN
InChI InChI=1S/C26H21N3O3/c1-2-3-4-5-14-29-25(30)21-22(26(29)31)24(20-12-8-18(16-28)9-13-20)32-23(21)19-10-6-17(15-27)7-11-19/h6-13H,2-5,14H2,1H3
InChIKey TWELFPQRUZXJEF-UHFFFAOYSA-N
Mol Weight 423.47 g/mol
Molecular Formula C26H21N3O3
Exact Mass 423.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jvl3AeUAHD
Name 4,4'-(5-Hexyl-4,6-dioxo-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-diyl)dibenzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21N3O3
InChI InChI=1S/C26H21N3O3/c1-2-3-4-5-14-29-25(30)21-22(26(29)31)24(20-12-8-18(16-28)9-13-20)32-23(21)19-10-6-17(15-27)7-11-19/h6-13H,2-5,14H2,1H3
InChIKey TWELFPQRUZXJEF-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ra05380j
Molecular Weight 423.472 g/mol
SMILES C(c1ccc(cc1)-c1oc(c2c1C(=O)N(CCCCCC)C2=O)-c1ccc(cc1)C#N)#N
SPLASH splash10-0089-3303900000-9863c4136b2dbb7055b3
Source of Spectrum RSA-4-35877-5b
Wiley ID 1749681