| SpectraBase Spectrum ID |
BtUhRrbOcjS |
| Name |
Dimethyl 3-formyl-4-methylcyclopent-3-ene-1,1-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.084123546 u |
| Formula |
C11H14O5 |
| InChI |
InChI=1S/C11H14O5/c1-7-4-11(9(13)15-2,10(14)16-3)5-8(7)6-12/h6H,4-5H2,1-3H3 |
| InChIKey |
ARWOJWMIWIBCEU-UHFFFAOYSA-N |
| Molecular Weight |
226.228 g/mol |
| SMILES |
C1(C(=O)OC)(CC(C=O)=C(C)C1)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903161 |
