| SpectraBase Spectrum ID |
8bvNEm2llmL |
| Name |
Succinic acid, heptadecyl 3-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/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-25-31-27(29)23-24-28(30)32-26(6-3)22-8-5-2/h26H,4-25H2,1-3H3 |
| InChIKey |
LPPOXQVUPZMTJR-UHFFFAOYSA-N |
| Molecular Weight |
454.736 g/mol |
| SMILES |
C(C(OC(CC)CCCC)=O)CC(OCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915278 |
