| SpectraBase Compound ID | 6vfxmBzlfD0 |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-5-15-12(14)16-11-8-6-10(7-9-11)13(2,3)4/h6-9H,5H2,1-4H3 |
| InChIKey | ZWSCEGDBZKCZGN-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L8EeoZUEdm1 |
|---|---|
| Name | 4-Tert-butylphenol, o-ethoxycarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-5-15-12(14)16-11-8-6-10(7-9-11)13(2,3)4/h6-9H,5H2,1-4H3 |
| InChIKey | ZWSCEGDBZKCZGN-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(C)(C)(C)C1=CC=C(C=C1)OC(OCC)=O |