| SpectraBase Compound ID | DRAfgMTeNcs |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-2-3-4-5-13(15)16-12-8-6-11(10-14)7-9-12/h6-10H,2-5H2,1H3 |
| InChIKey | DBFNEZMYRPLRIP-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9PRKVFnV2Gy |
|---|---|
| Name | p-Hydroxybenzaldehyde, hexanoate(ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.109944372 u |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-2-3-4-5-13(15)16-12-8-6-11(10-14)7-9-12/h6-10H,2-5H2,1H3 |
| InChIKey | DBFNEZMYRPLRIP-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C=1C(=CC=C(C1)C=O)OC(CCCCC)=O |