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N1,N3-bis((cyclohexylcarbamoyl)(4-methoxyphenyl)methyl)-2-cyclopentylidene-N1,N3-diphenylmalonamide
SpectraBase Compound ID 8UHjgRJ67Q
InChI InChI=1S/C50H58N4O6/c1-59-42-31-27-36(28-32-42)45(47(55)51-38-19-7-3-8-20-38)53(40-23-11-5-12-24-40)49(57)44(35-17-15-16-18-35)50(58)54(41-25-13-6-14-26-41)46(37-29-33-43(60-2)34-30-37)48(56)52-39-21-9-4-10-22-39/h5-6,11-14,23-34,38-39,45-46H,3-4,7-10,15-22H2,1-2H3,(H,51,55)(H,52,56)
InChIKey NLKQYUCKARVKGS-UHFFFAOYSA-N
Mol Weight 811.0 g/mol
Molecular Formula C50H58N4O6
Exact Mass 810.435636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCu0lDw3SGf
Name N1,N3-bis((cyclohexylcarbamoyl)(4-methoxyphenyl)methyl)-2-cyclopentylidene-N1,N3-diphenylmalonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H58N4O6
InChI InChI=1S/C50H58N4O6/c1-59-42-31-27-36(28-32-42)45(47(55)51-38-19-7-3-8-20-38)53(40-23-11-5-12-24-40)49(57)44(35-17-15-16-18-35)50(58)54(41-25-13-6-14-26-41)46(37-29-33-43(60-2)34-30-37)48(56)52-39-21-9-4-10-22-39/h5-6,11-14,23-34,38-39,45-46H,3-4,7-10,15-22H2,1-2H3,(H,51,55)(H,52,56)
InChIKey NLKQYUCKARVKGS-UHFFFAOYSA-N
Instrument Name Agilent Technologies HP-5973
Ionization Type EI
Literature Reference DOI 10.1016/j.jscs.2015.07.008
Molecular Weight 811.036 g/mol
SMILES N(C(C(N(C(C(C(N(C(C(NC1CCCCC1)=O)c1ccc(cc1)OC)c1ccccc1)=O)=C1CCCC1)=O)c1ccccc1)c1ccc(cc1)OC)=O)C1CCCCC1
SPLASH splash10-022a-7598000000-ed1705e89db4f42d4d5a
Source of Spectrum SCS-21-301-8a
Wiley ID 1857619