| SpectraBase Compound ID | 6vml67kUN25 |
|---|---|
| InChI | InChI=1S/C14H22O2/c1-14(2,3)13-6-4-11(5-7-13)8-12(9-15)10-16/h4-7,12,15-16H,8-10H2,1-3H3 |
| InChIKey | ASVJAMMASGZXCV-UHFFFAOYSA-N |
| Mol Weight | 222.33 g/mol |
| Molecular Formula | C14H22O2 |
| Exact Mass | 222.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6TMaBkwlcXN |
|---|---|
| Name | 2-(4-Tert-butylbenzyl)propane-1,3-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.161979946 u |
| Formula | C14H22O2 |
| InChI | InChI=1S/C14H22O2/c1-14(2,3)13-6-4-11(5-7-13)8-12(9-15)10-16/h4-7,12,15-16H,8-10H2,1-3H3 |
| InChIKey | ASVJAMMASGZXCV-UHFFFAOYSA-N |
| Molecular Weight | 222.328 g/mol |
| SMILES | C(C1=CC=C(C=C1)CC(CO)CO)(C)(C)C |