| SpectraBase Compound ID | 9aeS3brPEZL |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-11(2,3)9-7-8(12)5-6-10(9)13-4/h5-7,12H,1-4H3 |
| InChIKey | IMOYOUMVYICGCA-UHFFFAOYSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1cmMZhc5C1B |
|---|---|
| Name | 3-Tert-butyl-4-methoxyphenol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-11(2,3)9-7-8(12)5-6-10(9)13-4/h5-7,12H,1-4H3 |
| InChIKey | IMOYOUMVYICGCA-UHFFFAOYSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | OC=1C=CC(=C(C1)C(C)(C)C)OC |