| SpectraBase Compound ID | Fd9eM2gzDdK |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-2-3-5-10-13(14)15-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3 |
| InChIKey | HRSXWUSONDBHSP-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1lz5UkO03fv |
|---|---|
| Name | Hexanoic acid, phenylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-2-3-5-10-13(14)15-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3 |
| InChIKey | HRSXWUSONDBHSP-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C1(=CC=CC=C1)COC(=O)CCCCC |