| SpectraBase Compound ID | K8cRV859rnO |
|---|---|
| InChI | InChI=1S/C12H17ClO2/c1-15-11-6-4-5-10(9-11)12(14)7-2-3-8-13/h4-6,9,12,14H,2-3,7-8H2,1H3 |
| InChIKey | KLBZHVQMMFHZCU-UHFFFAOYSA-N |
| Mol Weight | 228.72 g/mol |
| Molecular Formula | C12H17ClO2 |
| Exact Mass | 228.091707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2P3HcVZ2apl |
|---|---|
| Name | 5-Chloro-1-(3-methoxyphenyl)-1-pentanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.091707485 u |
| Formula | C12H17ClO2 |
| InChI | InChI=1S/C12H17ClO2/c1-15-11-6-4-5-10(9-11)12(14)7-2-3-8-13/h4-6,9,12,14H,2-3,7-8H2,1H3 |
| InChIKey | KLBZHVQMMFHZCU-UHFFFAOYSA-N |
| Molecular Weight | 228.719 g/mol |
| SMILES | C(CCCCCl)(O)C=1C=C(C=CC1)OC |