| SpectraBase Spectrum ID |
80cKT4pUf0S |
| Name |
Fumaric acid, 4-methylpent-2-yl 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/c1-5-6-7-8-9-10-11-14-22-18(20)12-13-19(21)23-17(4)15-16(2)3/h12-13,16-17H,5-11,14-15H2,1-4H3/b13-12+ |
| InChIKey |
QUEAWVRHZOKWBN-OUKQBFOZSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(OC(C)CC(C)C)(\C=C\C(OCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935712 |
