| SpectraBase Compound ID | 9mzi5NBfsrQ |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-12(2,3)9-6-7-10(13-4)11(8-9)14-5/h6-8H,1-5H3 |
| InChIKey | FSWSUKGIUZLXKK-UHFFFAOYSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KJPggcZWTNs |
|---|---|
| Name | 4-Tert-butylcatechol, dimethyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-12(2,3)9-6-7-10(13-4)11(8-9)14-5/h6-8H,1-5H3 |
| InChIKey | FSWSUKGIUZLXKK-UHFFFAOYSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C1(=CC(=CC=C1OC)C(C)(C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977112 |