| SpectraBase Spectrum ID |
CgcL4omsaUU |
| Name |
Succinic acid, (5-ethyl-1,3-dioxan-5-yl)methyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.188588616 u |
| Formula |
C16H28O6 |
| InChI |
InChI=1S/C16H28O6/c1-3-5-6-9-21-14(17)7-8-15(18)22-12-16(4-2)10-19-13-20-11-16/h3-13H2,1-2H3 |
| InChIKey |
PGIYOGUDGKZGLR-UHFFFAOYSA-N |
| Molecular Weight |
316.394 g/mol |
| SMILES |
C(CCC(OCCCCC)=O)(=O)OCC1(CC)COCOC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95747 |
