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5-Nitro-1,3-bis[4'-(t-butyl)pyridylimino]-isoindole
SpectraBase Compound ID KkwVgyX2ER3
InChI InChI=1S/C26H28N6O2/c1-25(2,3)16-9-11-27-21(13-16)29-23-19-8-7-18(32(33)34)15-20(19)24(31-23)30-22-14-17(10-12-28-22)26(4,5)6/h7-15H,1-6H3,(H,27,28,29,30,31)
InChIKey XBNUMQRFYPTDJP-UHFFFAOYSA-N
Mol Weight 456.55 g/mol
Molecular Formula C26H28N6O2
Exact Mass 456.227374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wh1BHy2VSD
Name 5-Nitro-1,3-bis[4'-(t-butyl)pyridylimino]-isoindole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28N6O2
InChI InChI=1S/C26H28N6O2/c1-25(2,3)16-9-11-27-21(13-16)29-23-19-8-7-18(32(33)34)15-20(19)24(31-23)30-22-14-17(10-12-28-22)26(4,5)6/h7-15H,1-6H3,(H,27,28,29,30,31)
InChIKey XBNUMQRFYPTDJP-UHFFFAOYSA-N
Molecular Weight 456.550 g/mol
SMILES N1\C(c2c(\C1=N/c1nccc(c1)C(C)(C)C)ccc(c2)N(=O)=O)=N/c1nccc(c1)C(C)(C)C
SPLASH splash10-0a4i-0001900000-e8ea98e78e15a75f8396
Source of Spectrum QE-14-10275-5
Wiley ID 1692476