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Fumaric acid, monoamide, N,N-dihexyl-, decyl ester
SpectraBase Compound ID F5H4bYTNQ7C
InChI InChI=1S/C26H49NO3/c1-4-7-10-13-14-15-16-19-24-30-26(29)21-20-25(28)27(22-17-11-8-5-2)23-18-12-9-6-3/h20-21H,4-19,22-24H2,1-3H3/b21-20+
InChIKey MPGGIKCHGMYQFT-QZQOTICOSA-N
Mol Weight 423.7 g/mol
Molecular Formula C26H49NO3
Exact Mass 423.371244 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5EV4hqlOVeG
Name Fumaric acid, monoamide, N,N-dihexyl-, decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.371244439 u
Formula C26H49NO3
InChI InChI=1S/C26H49NO3/c1-4-7-10-13-14-15-16-19-24-30-26(29)21-20-25(28)27(22-17-11-8-5-2)23-18-12-9-6-3/h20-21H,4-19,22-24H2,1-3H3/b21-20+
InChIKey MPGGIKCHGMYQFT-QZQOTICOSA-N
Molecular Weight 423.682 g/mol
SMILES C(CCN(C(\C=C\C(OCCCCCCCCCC)=O)=O)CCCCCC)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972038