| SpectraBase Compound ID | DRBBp9YbnFK |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-10(2)14-8-9-15-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| InChIKey | QLSUGJQAAUGJHE-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 | 7J91lxQxBXw |
|---|---|
| Name | 2-Isopropoxyethyl benzoate |
| 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/c1-10(2)14-8-9-15-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| InChIKey | QLSUGJQAAUGJHE-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C1=C(C=CC=C1)C(OCCOC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925184 |