| SpectraBase Compound ID | 3z8oKjT402I |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-10(2)16-13(15)17-12-8-6-7-11(9-12)14(3,4)5/h6-10H,1-5H3 |
| InChIKey | BQQZJXJPCXDRMM-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C9NbdR24Kfx |
|---|---|
| Name | 3-Tert-butylphenol, o-isopropyloxycarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.141244501 u |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c1-10(2)16-13(15)17-12-8-6-7-11(9-12)14(3,4)5/h6-10H,1-5H3 |
| InChIKey | BQQZJXJPCXDRMM-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C1=C(C=CC=C1OC(OC(C)C)=O)C(C)(C)C |