| SpectraBase Compound ID | 8Xmj2M2qvOJ |
|---|---|
| InChI | InChI=1S/C13H14O4/c1-2-8-16-12(14)9-13(15)17-10-11-6-4-3-5-7-11/h2-7H,1,8-10H2 |
| InChIKey | GWPKBUQCGBMRPS-UHFFFAOYSA-N |
| Mol Weight | 234.25 g/mol |
| Molecular Formula | C13H14O4 |
| Exact Mass | 234.089209 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gg1nbuLrPxz |
|---|---|
| Name | Allyl benzyl malonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.089208927 u |
| Formula | C13H14O4 |
| InChI | InChI=1S/C13H14O4/c1-2-8-16-12(14)9-13(15)17-10-11-6-4-3-5-7-11/h2-7H,1,8-10H2 |
| InChIKey | GWPKBUQCGBMRPS-UHFFFAOYSA-N |
| Molecular Weight | 234.251 g/mol |
| SMILES | C(C(=O)OCC1=CC=CC=C1)C(=O)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977183 |