| SpectraBase Spectrum ID |
2OV5dx4tf06 |
| Name |
Diethylmalonic acid, 2-(3,3-dimethyl-2,4-oxacyclopentyl)ethyl ethyl 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/c1-6-16(7-2,13(17)19-8-3)14(18)20-10-9-12-11-21-15(4,5)22-12/h12H,6-11H2,1-5H3 |
| InChIKey |
DSEMECMSXHKNGY-UHFFFAOYSA-N |
| Molecular Weight |
316.394 g/mol |
| SMILES |
CCC(C(OCCC1OC(C)(C)OC1)=O)(C(OCC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974325 |
