| SpectraBase Compound ID | ADuNC447bpB |
|---|---|
| InChI | InChI=1S/C12H16Cl2O/c1-2-3-4-8-15-9-10-11(13)6-5-7-12(10)14/h5-7H,2-4,8-9H2,1H3 |
| InChIKey | TXKUYVXOGCKALQ-UHFFFAOYSA-N |
| Mol Weight | 247.16 g/mol |
| Molecular Formula | C12H16Cl2O |
| Exact Mass | 246.057821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LEHAeSeb2Ya |
|---|---|
| Name | 2,6-Dichlorobenzyl alcohol, N-pentyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.057820534 u |
| Formula | C12H16Cl2O |
| InChI | InChI=1S/C12H16Cl2O/c1-2-3-4-8-15-9-10-11(13)6-5-7-12(10)14/h5-7H,2-4,8-9H2,1H3 |
| InChIKey | TXKUYVXOGCKALQ-UHFFFAOYSA-N |
| Molecular Weight | 247.165 g/mol |
| SMILES | C1(=C(C=CC=C1Cl)Cl)COCCCCC |