| SpectraBase Spectrum ID |
JGv8lm7sRay |
| Name |
Succinic acid, heptadecyl 2-heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.402210215 u |
| Formula |
C28H54O4 |
| InChI |
InChI=1S/C28H54O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21-25-31-27(29)23-24-28(30)32-26(3)22-20-7-5-2/h26H,4-25H2,1-3H3 |
| InChIKey |
QYVCDCDVYYSPEY-UHFFFAOYSA-N |
| Molecular Weight |
454.736 g/mol |
| SMILES |
C(CC(OC(C)CCCCC)=O)C(OCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904218 |
