| SpectraBase Spectrum ID |
9f4z4bhsmFM |
| Name |
Fumaric acid, 2-dimethylaminoethyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.256608607 u |
| Formula |
C19H35NO4 |
| InChI |
InChI=1S/C19H35NO4/c1-4-5-6-7-8-9-10-11-12-16-23-18(21)13-14-19(22)24-17-15-20(2)3/h13-14H,4-12,15-17H2,1-3H3/b14-13+ |
| InChIKey |
ZDDBVJZNRZOOFR-BUHFOSPRSA-N |
| Molecular Weight |
341.492 g/mol |
| SMILES |
C(CCCCCCCCCOC(\C=C\C(OCCN(C)C)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966756 |
