| SpectraBase Compound ID | 2M9bju6UCeM |
|---|---|
| InChI | InChI=1S/C17H18O2/c1-12(2)14-7-9-16(10-8-14)19-17(18)15-6-4-5-13(3)11-15/h4-12H,1-3H3 |
| InChIKey | AWYMMPOIANWWOU-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 | 1lGlDlPAd8b |
|---|---|
| Name | 3-Methylbenzoic acid, 4-isopropylphenyl 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/c1-12(2)14-7-9-16(10-8-14)19-17(18)15-6-4-5-13(3)11-15/h4-12H,1-3H3 |
| InChIKey | AWYMMPOIANWWOU-UHFFFAOYSA-N |
| Molecular Weight | 254.329 g/mol |
| SMILES | C(C1=CC(=CC=C1)C)(OC1=CC=C(C(C)C)C=C1)=O |