| SpectraBase Compound ID | 2bNYA2n8tMX |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-3-5-14(16)7-4-6-12-8-10-13(11-9-12)15(17)18-2/h8-11,14,16H,3-7H2,1-2H3 |
| InChIKey | MECDPRYARZVORG-UHFFFAOYSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYnXrFh0ZmO |
|---|---|
| Name | Methyl 4-(4-hydroxyheptyl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.156894565 u |
| Formula | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c1-3-5-14(16)7-4-6-12-8-10-13(11-9-12)15(17)18-2/h8-11,14,16H,3-7H2,1-2H3 |
| InChIKey | MECDPRYARZVORG-UHFFFAOYSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OC)=O)CCCC(CCC)O |