| SpectraBase Compound ID | IzFytnD18sd |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-16-13(15)10-6-5-9-12(14)11-7-3-2-4-8-11/h2-4,7-8,12,14H,5-6,9-10H2,1H3 |
| InChIKey | LWIFWJJUTSZDFA-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E5bdT8qBQNw |
|---|---|
| Name | 6-Hydroxy-6-phenyl-hexanoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-16-13(15)10-6-5-9-12(14)11-7-3-2-4-8-11/h2-4,7-8,12,14H,5-6,9-10H2,1H3 |
| InChIKey | LWIFWJJUTSZDFA-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(CCCCC(O)C=1C=CC=CC1)(=O)OC |