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N3-[4-Chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]-N2-cyclohexyl-5-nitrobenzofuran-2,3-diamine
SpectraBase Compound ID Gi4jFEkAeA4
InChI InChI=1S/C22H20ClN5O4/c23-13-6-8-18(16(10-13)21-27-24-12-31-21)26-20-17-11-15(28(29)30)7-9-19(17)32-22(20)25-14-4-2-1-3-5-14/h6-12,14,25-26H,1-5H2
InChIKey ITUQLGOKERYCFD-UHFFFAOYSA-N
Mol Weight 453.89 g/mol
Molecular Formula C22H20ClN5O4
Exact Mass 453.120382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kp7A44tvlz
Name N3-[4-Chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]-N2-cyclohexyl-5-nitrobenzofuran-2,3-diamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20ClN5O4
InChI InChI=1S/C22H20ClN5O4/c23-13-6-8-18(16(10-13)21-27-24-12-31-21)26-20-17-11-15(28(29)30)7-9-19(17)32-22(20)25-14-4-2-1-3-5-14/h6-12,14,25-26H,1-5H2
InChIKey ITUQLGOKERYCFD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201100403
Molecular Weight 453.886 g/mol
SMILES N(c1c2c(oc1NC1CCCCC1)ccc(c2)[N+](=O)[O-])c1c(cc(cc1)Cl)-c1ocnn1
SPLASH splash10-05mp-9200000000-c7e6d3cfece53381b4a2
Source of Spectrum H-95-793-5g
Synonyms N3-(4-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl)-N2-cyclohexyl-5-nitrobenzofuran-2,3-diamine
Wiley ID 1786243