| SpectraBase Compound ID | Gg5MCAdYuXG |
|---|---|
| InChI | InChI=1S/C12H12O4/c1-3-8-16-12(14)10-7-5-4-6-9(10)11(13)15-2/h3-7H,1,8H2,2H3 |
| InChIKey | CGSRKECNVRWYOK-UHFFFAOYSA-N |
| Mol Weight | 220.22 g/mol |
| Molecular Formula | C12H12O4 |
| Exact Mass | 220.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 47d8DvR9x4w |
|---|---|
| Name | Allyl methyl phthalate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.073558862 u |
| Formula | C12H12O4 |
| InChI | InChI=1S/C12H12O4/c1-3-8-16-12(14)10-7-5-4-6-9(10)11(13)15-2/h3-7H,1,8H2,2H3 |
| InChIKey | CGSRKECNVRWYOK-UHFFFAOYSA-N |
| Molecular Weight | 220.224 g/mol |
| SMILES | C1=CC=C(C(=C1)C(=O)OCC=C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933107 |