| SpectraBase Spectrum ID |
1nnXzZRxKnD |
| Name |
Fumaric acid, 2-heptyl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.355260022 u |
| Formula |
C26H48O4 |
| InChI |
InChI=1S/C26H48O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-23-29-25(27)21-22-26(28)30-24(3)20-18-7-5-2/h21-22,24H,4-20,23H2,1-3H3/b22-21+ |
| InChIKey |
QMIURAQSLKAJKK-QURGRASLSA-N |
| Molecular Weight |
424.666 g/mol |
| SMILES |
C(OC(C)CCCCC)(\C=C\C(OCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969111 |
