| SpectraBase Spectrum ID |
gd7BxuN4Gl |
| Name |
Fumaric acid, cycloheptyl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.245709571 u |
| Formula |
C20H34O4 |
| InChI |
InChI=1S/C20H34O4/c1-2-3-4-5-6-9-12-17-23-19(21)15-16-20(22)24-18-13-10-7-8-11-14-18/h15-16,18H,2-14,17H2,1H3/b16-15+ |
| InChIKey |
YQAGALWSKIHWGZ-FOCLMDBBSA-N |
| Molecular Weight |
338.488 g/mol |
| SMILES |
C1C(CCCCC1)OC(\C=C\C(OCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918301 |
