| SpectraBase Compound ID | 2mu88eQoBf1 |
|---|---|
| InChI | InChI=1S/C9H12O4/c1-3-5-12-8(10)7-9(11)13-6-4-2/h3-4H,1-2,5-7H2 |
| InChIKey | AOESAXAWXYJFNC-UHFFFAOYSA-N |
| Mol Weight | 184.19 g/mol |
| Molecular Formula | C9H12O4 |
| Exact Mass | 184.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4UGG0ZjgVC8 |
|---|---|
| Name | Diallyl malonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.073558862 u |
| Formula | C9H12O4 |
| InChI | InChI=1S/C9H12O4/c1-3-5-12-8(10)7-9(11)13-6-4-2/h3-4H,1-2,5-7H2 |
| InChIKey | AOESAXAWXYJFNC-UHFFFAOYSA-N |
| Molecular Weight | 184.191 g/mol |
| SMILES | C(C(=O)OCC=C)C(=O)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989482 |