| SpectraBase Compound ID | 6xfDaMxL0ZA |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-7(2)10-5-11(14)8(3)12(6-10)15-9(4)13/h5-7,14H,1-4H3 |
| InChIKey | DDGJOJNLEZAWID-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 | BFtB9wTVG7G |
|---|---|
| Name | 3-Acetoxy-5-isopropyl-2-methyl-phenol |
| 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/c1-7(2)10-5-11(14)8(3)12(6-10)15-9(4)13/h5-7,14H,1-4H3 |
| InChIKey | DDGJOJNLEZAWID-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C1(OC(=O)C)=C(C(O)=CC(=C1)C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85228 |