| SpectraBase Compound ID | D30WQgeNDMS |
|---|---|
| InChI | InChI=1S/C8H12O4/c1-4-12-8(11)7(5(2)9)6(3)10/h7H,4H2,1-3H3 |
| InChIKey | YMCDYRGMTRCAPZ-UHFFFAOYSA-N |
| Mol Weight | 172.18 g/mol |
| Molecular Formula | C8H12O4 |
| Exact Mass | 172.073559 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KlVrqGSkAgZ |
|---|---|
| Name | Ethyl diacetoacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.073558862 u |
| Formula | C8H12O4 |
| InChI | InChI=1S/C8H12O4/c1-4-12-8(11)7(5(2)9)6(3)10/h7H,4H2,1-3H3 |
| InChIKey | YMCDYRGMTRCAPZ-UHFFFAOYSA-N |
| Molecular Weight | 172.180 g/mol |
| SMILES | CC(C(C(OCC)=O)C(=O)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.935674 |