| SpectraBase Compound ID | KeEwmmzqz5B |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-9(2)15-12-6-4-11(5-7-12)8-14-10(3)13/h4-7,9H,8H2,1-3H3 |
| InChIKey | MIDJRRVSPVVFTC-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LWoFTTcJQgi |
|---|---|
| Name | 4-Isopropoxybenzyl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-9(2)15-12-6-4-11(5-7-12)8-14-10(3)13/h4-7,9H,8H2,1-3H3 |
| InChIKey | MIDJRRVSPVVFTC-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C(=O)(OCC=1C=CC(OC(C)C)=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947545 |