| SpectraBase Compound ID | CbzKg3o8BbT |
|---|---|
| InChI | InChI=1S/C17H18O2/c1-14-9-11-16(12-10-14)17(18)19-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13H2,1H3 |
| InChIKey | VBVODAZCNLCCNA-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 | 4zf5SWAou24 |
|---|---|
| Name | p-Toluic acid, 3-phenylpropyl 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/c1-14-9-11-16(12-10-14)17(18)19-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13H2,1H3 |
| InChIKey | VBVODAZCNLCCNA-UHFFFAOYSA-N |
| Molecular Weight | 254.329 g/mol |
| SMILES | C1(=CC=CC=C1)CCCOC(C1=CC=C(C=C1)C)=O |