| SpectraBase Spectrum ID |
KBIMLp7ffX4 |
| Name |
2,2,3-Trimethylcyclopropane-1,1-dicarboxylic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.136159120 u |
| Formula |
C12H20O4 |
| InChI |
InChI=1S/C12H20O4/c1-6-15-9(13)12(10(14)16-7-2)8(3)11(12,4)5/h8H,6-7H2,1-5H3 |
| InChIKey |
GQZHXKKTUDHNGC-UHFFFAOYSA-N |
| Molecular Weight |
228.288 g/mol |
| SMILES |
CC1C(C(=O)OCC)(C(OCC)=O)C1(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949471 |
