| SpectraBase Compound ID | Ig3nk1qpcDp |
|---|---|
| InChI | InChI=1S/C7H10O4/c1-10-6(8)4-3-5-7(9)11-2/h3-4H,5H2,1-2H3/b4-3+ |
| InChIKey | SKCGFFOFYXLNCG-ONEGZZNKSA-N |
| Mol Weight | 158.15 g/mol |
| Molecular Formula | C7H10O4 |
| Exact Mass | 158.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JKNUQsKL9m3 |
|---|---|
| Name | 2-Pentenedioic acid, dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.057908798 u |
| Formula | C7H10O4 |
| InChI | InChI=1S/C7H10O4/c1-10-6(8)4-3-5-7(9)11-2/h3-4H,5H2,1-2H3/b4-3+ |
| InChIKey | SKCGFFOFYXLNCG-ONEGZZNKSA-N |
| SMILES | C(\C=C\C(OC)=O)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.991294 |