| SpectraBase Spectrum ID |
FH8hPujdRZH |
| Name |
Fumaric acid, 2-methyl-4-methoxybutyl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.240624190 u |
| Formula |
C19H34O5 |
| InChI |
InChI=1S/C19H34O5/c1-4-5-6-7-8-9-10-14-23-18(20)11-12-19(21)24-16-17(2)13-15-22-3/h11-12,17H,4-10,13-16H2,1-3H3/b12-11+ |
| InChIKey |
GCAHLGRFXYLWHD-VAWYXSNFSA-N |
| Molecular Weight |
342.476 g/mol |
| SMILES |
C(\C=C\C(OCCCCCCCCC)=O)(OCC(CCOC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942951 |
