| SpectraBase Compound ID | FnBJijNlqMS |
|---|---|
| InChI | InChI=1S/C10H14O4/c1-5-13-9(11)7(3)8(4)10(12)14-6-2/h3-6H2,1-2H3 |
| InChIKey | TVJKSSLZOKDYGS-UHFFFAOYSA-N |
| Mol Weight | 198.22 g/mol |
| Molecular Formula | C10H14O4 |
| Exact Mass | 198.089209 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ExrKr1a9uwp |
|---|---|
| Name | Butanedioic acid, bis(methylene)-, diethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.089208927 u |
| Formula | C10H14O4 |
| InChI | InChI=1S/C10H14O4/c1-5-13-9(11)7(3)8(4)10(12)14-6-2/h3-6H2,1-2H3 |
| InChIKey | TVJKSSLZOKDYGS-UHFFFAOYSA-N |
| Molecular Weight | 198.218 g/mol |
| SMILES | C(C(C(OCC)=O)=C)(C(OCC)=O)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980747 |