| SpectraBase Spectrum ID |
Div0FZsgmdg |
| Name |
3-Ethyl-2-methyl-5-oxocyclopent-1-ene-1,3-dicarboxylic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.099773610 u |
| Formula |
C12H16O5 |
| InChI |
InChI=1S/C12H16O5/c1-5-12(11(15)17-4)6-8(13)9(7(12)2)10(14)16-3/h5-6H2,1-4H3 |
| InChIKey |
ADZOQUNWXIEBJM-UHFFFAOYSA-N |
| Molecular Weight |
240.255 g/mol |
| SMILES |
C1(=C(C(CC1=O)(C(=O)OC)CC)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960303 |
