| SpectraBase Spectrum ID |
9N4VIcQE9cQ |
| Name |
Succinic acid, (5-ethyl-1,3-dioxan-5-yl)methyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.172938551 u |
| Formula |
C15H26O6 |
| InChI |
InChI=1S/C15H26O6/c1-4-15(8-18-11-19-9-15)10-21-14(17)6-5-13(16)20-7-12(2)3/h12H,4-11H2,1-3H3 |
| InChIKey |
LMOZJKVBOJUQKO-UHFFFAOYSA-N |
| SMILES |
C(CCC(OCC(C)C)=O)(=O)OCC1(CC)COCOC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963449 |
