| SpectraBase Compound ID | Kg5puvMGVgZ |
|---|---|
| InChI | InChI=1S/C13H19ClO/c1-13(2,3)10-15-8-7-11-5-4-6-12(14)9-11/h4-6,9H,7-8,10H2,1-3H3 |
| InChIKey | WMYICMAWUOGGLK-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 | 2t7YQr3mide |
|---|---|
| Name | 3-Chlorophenethyl alcohol, neopentyl 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/c1-13(2,3)10-15-8-7-11-5-4-6-12(14)9-11/h4-6,9H,7-8,10H2,1-3H3 |
| InChIKey | WMYICMAWUOGGLK-UHFFFAOYSA-N |
| Molecular Weight | 226.747 g/mol |
| SMILES | C1=C(C=C(C=C1)Cl)CCOCC(C)(C)C |