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 |