| SpectraBase Spectrum ID |
L8fs7601jwD |
| Name |
Fumaric acid, 2-dimethylaminoethyl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.225308478 u |
| Formula |
C17H31NO4 |
| InChI |
InChI=1S/C17H31NO4/c1-4-5-6-7-8-9-10-14-21-16(19)11-12-17(20)22-15-13-18(2)3/h11-12H,4-10,13-15H2,1-3H3/b12-11+ |
| InChIKey |
QPHCJYQBWCIUCK-VAWYXSNFSA-N |
| Molecular Weight |
313.438 g/mol |
| SMILES |
C(OC(\C=C\C(OCCN(C)C)=O)=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875405 |
