| SpectraBase Compound ID | FJupXPTQDOE |
|---|---|
| InChI | InChI=1S/C12H17ClO/c1-2-3-8-14-9-7-11-5-4-6-12(13)10-11/h4-6,10H,2-3,7-9H2,1H3 |
| InChIKey | GIWQISFDXKUGOV-UHFFFAOYSA-N |
| Mol Weight | 212.72 g/mol |
| Molecular Formula | C12H17ClO |
| Exact Mass | 212.096793 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5jM2tkg4mGj |
|---|---|
| Name | 3-Chlorophenethyl alcohol, N-butyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.096792866 u |
| Formula | C12H17ClO |
| InChI | InChI=1S/C12H17ClO/c1-2-3-8-14-9-7-11-5-4-6-12(13)10-11/h4-6,10H,2-3,7-9H2,1H3 |
| InChIKey | GIWQISFDXKUGOV-UHFFFAOYSA-N |
| Molecular Weight | 212.720 g/mol |
| SMILES | C1=C(C=C(C=C1)Cl)CCOCCCC |