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Adipic acid, monoamide, N,N-dihexyl-, heptyl ester

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Adipic acid, monoamide, N,N-dihexyl-, heptyl ester
SpectraBase Compound ID DnwuoBnTR1a
InChI InChI=1S/C25H49NO3/c1-4-7-10-13-18-23-29-25(28)20-15-14-19-24(27)26(21-16-11-8-5-2)22-17-12-9-6-3/h4-23H2,1-3H3
InChIKey ZUPJQCUEJJCHJX-UHFFFAOYSA-N
Mol Weight 411.7 g/mol
Molecular Formula C25H49NO3
Exact Mass 411.371244 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KYXaOKPwXVt
Name Adipic acid, monoamide, N,N-dihexyl-, heptyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.371244439 u
Formula C25H49NO3
InChI InChI=1S/C25H49NO3/c1-4-7-10-13-18-23-29-25(28)20-15-14-19-24(27)26(21-16-11-8-5-2)22-17-12-9-6-3/h4-23H2,1-3H3
InChIKey ZUPJQCUEJJCHJX-UHFFFAOYSA-N
Molecular Weight 411.671 g/mol
SMILES C(COC(CCCCC(=O)N(CCCCCC)CCCCCC)=O)CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.980176