| SpectraBase Compound ID | 94mFA5daMIr |
|---|---|
| InChI | InChI=1S/C17H18O2/c1-13(2)17(18)19-16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3 |
| InChIKey | SPGOMXUVOIOPHS-UHFFFAOYSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C17H18O2 |
| Exact Mass | 254.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3klM1ep9MrV |
|---|---|
| Name | 4-Benzylphenol, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.130679818 u |
| Formula | C17H18O2 |
| InChI | InChI=1S/C17H18O2/c1-13(2)17(18)19-16-10-8-15(9-11-16)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3 |
| InChIKey | SPGOMXUVOIOPHS-UHFFFAOYSA-N |
| Molecular Weight | 254.329 g/mol |
| SMILES | C1(OC(C(C)C)=O)=CC=C(C=C1)CC1=CC=CC=C1 |