| SpectraBase Compound ID | CeIvmFTA1wy |
|---|---|
| InChI | InChI=1S/C10H12O4/c1-5(11)9(6(2)12)10(7(3)13)8(4)14/h1-4H3 |
| InChIKey | WYGJTQGGQYPSQV-UHFFFAOYSA-N |
| Mol Weight | 196.2 g/mol |
| Molecular Formula | C10H12O4 |
| Exact Mass | 196.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2HzfVLCfGlN |
|---|---|
| Name | 3,4-Diacetylhex-3-ene-2,5-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.073558862 u |
| Formula | C10H12O4 |
| InChI | InChI=1S/C10H12O4/c1-5(11)9(6(2)12)10(7(3)13)8(4)14/h1-4H3 |
| InChIKey | WYGJTQGGQYPSQV-UHFFFAOYSA-N |
| Molecular Weight | 196.202 g/mol |
| SMILES | C(=C(C(=O)C)C(=O)C)(C(=O)C)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975797 |