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N1,N3-bis((cyclohexylcarbamoyl)(4-nitrophenyl)methyl)-N1,N3-bis(4-chlorophenyl)-2-cyclopentylidenemalonamide
SpectraBase Compound ID 8PS8elmNMfB
InChI InChI=1S/C48H50Cl2N6O8/c49-34-19-27-38(28-20-34)53(43(32-15-23-40(24-16-32)55(61)62)45(57)51-36-11-3-1-4-12-36)47(59)42(31-9-7-8-10-31)48(60)54(39-29-21-35(50)22-30-39)44(33-17-25-41(26-18-33)56(63)64)46(58)52-37-13-5-2-6-14-37/h15-30,36-37,43-44H,1-14H2,(H,51,57)(H,52,58)
InChIKey MSTKZEMMKOVBBQ-UHFFFAOYSA-N
Mol Weight 909.9 g/mol
Molecular Formula C48H50Cl2N6O8
Exact Mass 908.306718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43pWOUk9OnR
Name N1,N3-bis((cyclohexylcarbamoyl)(4-nitrophenyl)methyl)-N1,N3-bis(4-chlorophenyl)-2-cyclopentylidenemalonamide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H50Cl2N6O8
InChI InChI=1S/C48H50Cl2N6O8/c49-34-19-27-38(28-20-34)53(43(32-15-23-40(24-16-32)55(61)62)45(57)51-36-11-3-1-4-12-36)47(59)42(31-9-7-8-10-31)48(60)54(39-29-21-35(50)22-30-39)44(33-17-25-41(26-18-33)56(63)64)46(58)52-37-13-5-2-6-14-37/h15-30,36-37,43-44H,1-14H2,(H,51,57)(H,52,58)
InChIKey MSTKZEMMKOVBBQ-UHFFFAOYSA-N
Instrument Name Agilent Technologies HP-5973
Ionization Type EI
Literature Reference DOI 10.1016/j.jscs.2015.07.008
Molecular Weight 909.868 g/mol
SMILES N(C(C(N(C(C(C(N(C(C(NC1CCCCC1)=O)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)Cl)=O)=C1CCCC1)=O)c1ccc(cc1)Cl)c1ccc(cc1)[N+](=O)[O-])=O)C1CCCCC1
SPLASH splash10-03di-2190000000-ec4d68d65774d11faf37
Source of Spectrum SCS-21-301-8c
Wiley ID 1857621