| SpectraBase Compound ID | 7cDpU1Nfb82 |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-10(14)4-3-5-11-6-8-12(9-7-11)13(15)16-2/h6-10,14H,3-5H2,1-2H3 |
| InChIKey | RATMZRPRQAEPCP-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 | 5MNttMHVPFO |
|---|---|
| Name | Methyl 4-(4-hydroxypentyl)benzoate |
| 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/c1-10(14)4-3-5-11-6-8-12(9-7-11)13(15)16-2/h6-10,14H,3-5H2,1-2H3 |
| InChIKey | RATMZRPRQAEPCP-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(C=1C=CC(=CC1)CCCC(C)O)(=O)OC |