| SpectraBase Compound ID | 6qtRUh5e8Dj |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-8(2)16-12(14)10-7-5-4-6-9(10)11(13)15-3/h4-8H,1-3H3 |
| InChIKey | PKHPNDWTECXJSX-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9N6LA680TLn |
|---|---|
| Name | Isopropyl methyl phthalate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-8(2)16-12(14)10-7-5-4-6-9(10)11(13)15-3/h4-8H,1-3H3 |
| InChIKey | PKHPNDWTECXJSX-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C1=CC=C(C(=C1)C(=O)OC(C)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.87228 |