| SpectraBase Compound ID | J5AHKGtcmel |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-12(2,3)9-5-7-10(8-6-9)15-11(13)14-4/h5-8H,1-4H3 |
| InChIKey | WZQSOQRGTIJZSE-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 | K3TFbezVTMX |
|---|---|
| Name | 4-Tert-butylphenol, o-methoxycarbonyl- |
| 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)9-5-7-10(8-6-9)15-11(13)14-4/h5-8H,1-4H3 |
| InChIKey | WZQSOQRGTIJZSE-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C(C)(C)(C)C1=CC=C(C=C1)OC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863407 |