| SpectraBase Compound ID | 9HLl5g0r8Ro |
|---|---|
| InChI | InChI=1S/C13H19ClO/c1-3-11(2)10-15-8-7-12-5-4-6-13(14)9-12/h4-6,9,11H,3,7-8,10H2,1-2H3 |
| InChIKey | BIVJEISPAWJKRQ-UHFFFAOYSA-N |
| Mol Weight | 226.75 g/mol |
| Molecular Formula | C13H19ClO |
| Exact Mass | 226.112443 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DDqtVVWGmu2 |
|---|---|
| Name | 3-Chlorophenethyl alcohol, 2-methylbutyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.112442931 u |
| Formula | C13H19ClO |
| InChI | InChI=1S/C13H19ClO/c1-3-11(2)10-15-8-7-12-5-4-6-13(14)9-12/h4-6,9,11H,3,7-8,10H2,1-2H3 |
| InChIKey | BIVJEISPAWJKRQ-UHFFFAOYSA-N |
| Molecular Weight | 226.747 g/mol |
| SMILES | C1=C(C=C(C=C1)Cl)CCOCC(CC)C |