| SpectraBase Spectrum ID |
5HylTov70jq |
| Name |
Glutaric 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 |
316.188588616 u |
| Formula |
C16H28O6 |
| InChI |
InChI=1S/C16H28O6/c1-4-16(9-19-12-20-10-16)11-22-15(18)7-5-6-14(17)21-8-13(2)3/h13H,4-12H2,1-3H3 |
| InChIKey |
IMMXYWDWWCWWOV-UHFFFAOYSA-N |
| Molecular Weight |
316.394 g/mol |
| SMILES |
C(C1(COCOC1)CC)OC(=O)CCCC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891068 |
