| SpectraBase Compound ID | Ke43b8AfbNO |
|---|---|
| InChI | InChI=1S/C11H14O3/c1-9(2)8-13-11(12)14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | MTFSSQVLWRFNAZ-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C11H14O3 |
| Exact Mass | 194.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FanVNTXiIOU |
|---|---|
| Name | Carbonic acid, isobutyl phenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.094294308 u |
| Formula | C11H14O3 |
| InChI | InChI=1S/C11H14O3/c1-9(2)8-13-11(12)14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | MTFSSQVLWRFNAZ-UHFFFAOYSA-N |
| Molecular Weight | 194.230 g/mol |
| SMILES | C(OC1=CC=CC=C1)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954664 |