| SpectraBase Spectrum ID |
3W2UGwD0d5s |
| Name |
Fumaric acid, 2-methoxyethyl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.193673997 u |
| Formula |
C16H28O5 |
| InChI |
InChI=1S/C16H28O5/c1-3-4-5-6-7-8-9-12-20-15(17)10-11-16(18)21-14-13-19-2/h10-11H,3-9,12-14H2,1-2H3/b11-10+ |
| InChIKey |
YTIPYWGPWNSPSP-ZHACJKMWSA-N |
| Molecular Weight |
300.395 g/mol |
| SMILES |
C(\C=C\C(OCCCCCCCCC)=O)(OCCOC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862889 |
