| SpectraBase Compound ID | DR488xTo85c |
|---|---|
| InChI | InChI=1S/C17H18O2/c1-3-6-14-7-4-5-8-16(14)19-17(18)15-11-9-13(2)10-12-15/h4-5,7-12H,3,6H2,1-2H3 |
| InChIKey | AUJOCDJDDFZUGD-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 | 9s8fwHzXMaJ |
|---|---|
| Name | 4-Methylbenzoic acid, 2-propylphenyl ester |
| 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/c1-3-6-14-7-4-5-8-16(14)19-17(18)15-11-9-13(2)10-12-15/h4-5,7-12H,3,6H2,1-2H3 |
| InChIKey | AUJOCDJDDFZUGD-UHFFFAOYSA-N |
| Molecular Weight | 254.329 g/mol |
| SMILES | C1(=CC=C(C=C1)C)C(=O)OC1=CC=CC=C1CCC |