| SpectraBase Spectrum ID |
DueYgqkIRw2 |
| Name |
Fumaric acid, isohexyl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.245709571 u |
| Formula |
C19H34O4 |
| InChI |
InChI=1S/C19H34O4/c1-4-5-6-7-8-9-10-15-22-18(20)13-14-19(21)23-16-11-12-17(2)3/h13-14,17H,4-12,15-16H2,1-3H3/b14-13+ |
| InChIKey |
OTYFWPVHRSZVBY-BUHFOSPRSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(\C=C\C(OCCCCCCCCC)=O)(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886247 |
