| SpectraBase Compound ID | 7IIkco8k3r9 |
|---|---|
| InChI | InChI=1S/C7H12O4/c1-4-5(6(8)10-2)7(9)11-3/h5H,4H2,1-3H3 |
| InChIKey | XGRMVENQJLQMLT-UHFFFAOYSA-N |
| Mol Weight | 160.17 g/mol |
| Molecular Formula | C7H12O4 |
| Exact Mass | 160.073559 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | H95pjqiR751 |
|---|---|
| Name | Ethylmalonic acid, dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.073558862 u |
| Formula | C7H12O4 |
| InChI | InChI=1S/C7H12O4/c1-4-5(6(8)10-2)7(9)11-3/h5H,4H2,1-3H3 |
| InChIKey | XGRMVENQJLQMLT-UHFFFAOYSA-N |
| Molecular Weight | 160.169 g/mol |
| SMILES | COC(C(C(OC)=O)CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.86245 |