| SpectraBase Compound ID | 9TdZuPGe7Fd |
|---|---|
| InChI | InChI=1S/C17H18O2/c1-12(2)15-10-9-13(3)16(11-15)19-17(18)14-7-5-4-6-8-14/h4-12H,1-3H3 |
| InChIKey | RJHHOBBLJXRSDO-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 | 8JWN94hbSjz |
|---|---|
| Name | 5-Isopropyl-2-methylphenyl benzoate |
| 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/c1-12(2)15-10-9-13(3)16(11-15)19-17(18)14-7-5-4-6-8-14/h4-12H,1-3H3 |
| InChIKey | RJHHOBBLJXRSDO-UHFFFAOYSA-N |
| Molecular Weight | 254.329 g/mol |
| SMILES | C1(=CC=C(C(=C1)OC(C1=CC=CC=C1)=O)C)C(C)C |