| SpectraBase Spectrum ID |
3tBPFuClQZi |
| Name |
Fumaric acid, decyl 2-dimethylaminoethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.240958543 u |
| Formula |
C18H33NO4 |
| InChI |
InChI=1S/C18H33NO4/c1-4-5-6-7-8-9-10-11-15-22-17(20)12-13-18(21)23-16-14-19(2)3/h12-13H,4-11,14-16H2,1-3H3/b13-12+ |
| InChIKey |
XQIDLCMHXRKOBK-OUKQBFOZSA-N |
| Molecular Weight |
327.465 g/mol |
| SMILES |
C(OC(\C=C\C(OCCN(C)C)=O)=O)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956295 |
