| SpectraBase Spectrum ID |
DAtfPaNJnTM |
| Name |
Diethyl 4,4-dimethyl-5-oxo-tetrahydrofuran-3,3-dicarboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.110338294 u |
| Formula |
C12H18O6 |
| InChI |
InChI=1S/C12H18O6/c1-5-16-9(14)12(10(15)17-6-2)7-18-8(13)11(12,3)4/h5-7H2,1-4H3 |
| InChIKey |
SXDXWVDWGFMOFW-UHFFFAOYSA-N |
| Molecular Weight |
258.270 g/mol |
| SMILES |
C1(C(OCC1(C(=O)OCC)C(=O)OCC)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976966 |
