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

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Adipic acid, monoamide, N,N-dihexyl-, octyl ester
SpectraBase Compound ID 7Q0htea04An
InChI InChI=1S/C26H51NO3/c1-4-7-10-13-14-19-24-30-26(29)21-16-15-20-25(28)27(22-17-11-8-5-2)23-18-12-9-6-3/h4-24H2,1-3H3
InChIKey KLMCUTRZTKKODH-UHFFFAOYSA-N
Mol Weight 425.7 g/mol
Molecular Formula C26H51NO3
Exact Mass 425.386895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cfq3Xb2NiRs
Name Adipic acid, monoamide, N,N-dihexyl-, octyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.386894503 u
Formula C26H51NO3
InChI InChI=1S/C26H51NO3/c1-4-7-10-13-14-19-24-30-26(29)21-16-15-20-25(28)27(22-17-11-8-5-2)23-18-12-9-6-3/h4-24H2,1-3H3
InChIKey KLMCUTRZTKKODH-UHFFFAOYSA-N
Molecular Weight 425.698 g/mol
SMILES CCCCCCCCOC(CCCCC(=O)N(CCCCCC)CCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975718