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4-Methyl-cyclohexane-1,2-dicarboxylic acid, bis-diisobutylamide
SpectraBase Compound ID 52mZ4cRpnY9
InChI InChI=1S/C25H48N2O2/c1-17(2)13-26(14-18(3)4)24(28)22-11-10-21(9)12-23(22)25(29)27(15-19(5)6)16-20(7)8/h17-23H,10-16H2,1-9H3
InChIKey AKIXDVPDQDKJLM-UHFFFAOYSA-N
Mol Weight 408.7 g/mol
Molecular Formula C25H48N2O2
Exact Mass 408.371579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8qLFNAuYhG8
Name 4-Methyl-cyclohexane-1,2-dicarboxylic acid, bis-diisobutylamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.371578792 u
Formula C25H48N2O2
InChI InChI=1S/C25H48N2O2/c1-17(2)13-26(14-18(3)4)24(28)22-11-10-21(9)12-23(22)25(29)27(15-19(5)6)16-20(7)8/h17-23H,10-16H2,1-9H3
InChIKey AKIXDVPDQDKJLM-UHFFFAOYSA-N
Molecular Weight 408.671 g/mol
SMILES CC(C)CN(CC(C)C)C(C1C(C(=O)N(CC(C)C)CC(C)C)CCC(C)C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931475