| SpectraBase Spectrum ID |
6KcWa6ajFgH |
| Name |
Fumaric acid, cyclobutyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.230059506 u |
| Formula |
C19H32O4 |
| InChI |
InChI=1S/C19H32O4/c1-2-3-4-5-6-7-8-9-10-16-22-18(20)14-15-19(21)23-17-12-11-13-17/h14-15,17H,2-13,16H2,1H3/b15-14+ |
| InChIKey |
MXQYJZNTPXMYBC-CCEZHUSRSA-N |
| Molecular Weight |
324.461 g/mol |
| SMILES |
C1(CCC1)OC(\C=C\C(OCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91689 |
