| SpectraBase Compound ID | TOJKiAvOes |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-12(2,3)15-11(13)9-7-5-6-8-10(9)14-4/h5-8H,1-4H3 |
| InChIKey | BQFFOUQBTAMINL-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 | xBEDNbtHIl |
|---|---|
| Name | Benzoic acid, 2-methoxy-, tert.-butyl ester |
| 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/c1-12(2,3)15-11(13)9-7-5-6-8-10(9)14-4/h5-8H,1-4H3 |
| InChIKey | BQFFOUQBTAMINL-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C1(=CC=CC=C1C(=O)OC(C)(C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94281 |