SpectraBase Spectrum ID |
172zAxUKgac |
Name |
Fumaric acid, monoamide, N-dodecyl-, butyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
339.277344052 u |
Formula |
C20H37NO3 |
InChI |
InChI=1S/C20H37NO3/c1-3-5-7-8-9-10-11-12-13-14-17-21-19(22)15-16-20(23)24-18-6-4-2/h15-16H,3-14,17-18H2,1-2H3,(H,21,22)/b16-15+ |
InChIKey |
FXAFNKMXEFSGDL-FOCLMDBBSA-N |
Molecular Weight |
339.520 g/mol |
SMILES |
C(CCNC(\C=C\C(OCCCC)=O)=O)CCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822574 |