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N,N,N',N'-Tetracyclohexyl-2-dicyclohexylcarbamoyl-malonamide

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

N,N,N',N'-Tetracyclohexyl-2-dicyclohexylcarbamoyl-malonamide
SpectraBase Compound ID GanyVDoUlrg
InChI InChI=1S/C40H67N3O3/c44-38(41(31-19-7-1-8-20-31)32-21-9-2-10-22-32)37(39(45)42(33-23-11-3-12-24-33)34-25-13-4-14-26-34)40(46)43(35-27-15-5-16-28-35)36-29-17-6-18-30-36/h31-37H,1-30H2
InChIKey YHWAVUGKGNKFQO-UHFFFAOYSA-N
Mol Weight 638.0 g/mol
Molecular Formula C40H67N3O3
Exact Mass 637.518243 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 830ArNZB6ou
Name N,N,N',N'-Tetracyclohexyl-2-dicyclohexylcarbamoyl-malonamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 637.518243026 u
Formula C40H67N3O3
InChI InChI=1S/C40H67N3O3/c44-38(41(31-19-7-1-8-20-31)32-21-9-2-10-22-32)37(39(45)42(33-23-11-3-12-24-33)34-25-13-4-14-26-34)40(46)43(35-27-15-5-16-28-35)36-29-17-6-18-30-36/h31-37H,1-30H2
InChIKey YHWAVUGKGNKFQO-UHFFFAOYSA-N
Molecular Weight 637.994 g/mol
SMILES C1CC(N(C2CCCCC2)C(=O)C(C(=O)N(C2CCCCC2)C2CCCCC2)C(=O)N(C2CCCCC2)C2CCCCC2)CCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939893