| SpectraBase Compound ID | 15m8IOBwNaj |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-5-12(14)15-11-8-6-10(7-9-11)13(2,3)4/h6-9H,5H2,1-4H3 |
| InChIKey | MYEDOWTWYWKKAT-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7SiooUIEF8T |
|---|---|
| Name | 4-Tert-butylphenyl propionate; p-tert-butylphenyl propionate; phenol, 4-(1,1-dimethylethyl)-, propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-5-12(14)15-11-8-6-10(7-9-11)13(2,3)4/h6-9H,5H2,1-4H3 |
| InChIKey | MYEDOWTWYWKKAT-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C1=C(C=CC(=C1)C(C)(C)C)OC(=O)CC |