| SpectraBase Compound ID | 7jGElPB8qxl |
|---|---|
| InChI | InChI=1S/C17H18O3/c1-12(2)19-15-9-4-5-10-16(15)20-17(18)14-8-6-7-13(3)11-14/h4-12H,1-3H3 |
| InChIKey | HEZPMSBOKBUSKN-UHFFFAOYSA-N |
| Mol Weight | 270.33 g/mol |
| Molecular Formula | C17H18O3 |
| Exact Mass | 270.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8QZRU9Zxal7 |
|---|---|
| Name | m-Toluic acid, 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.125594437 u |
| Formula | C17H18O3 |
| InChI | InChI=1S/C17H18O3/c1-12(2)19-15-9-4-5-10-16(15)20-17(18)14-8-6-7-13(3)11-14/h4-12H,1-3H3 |
| InChIKey | HEZPMSBOKBUSKN-UHFFFAOYSA-N |
| SMILES | C1=CC(C(=O)OC2=C(C=CC=C2)OC(C)C)=CC(=C1)C |