| SpectraBase Compound ID | Ja5SUxSeAPt |
|---|---|
| InChI | InChI=1S/C12H17ClO2/c1-11(2,14)8-12(3,15)9-4-6-10(13)7-5-9/h4-7,14-15H,8H2,1-3H3 |
| InChIKey | SNJDSTGQYRTZJT-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 | JITxVhvM80D |
|---|---|
| Name | 2-(4-Chlorophenyl)-4-methyl-2,4-pentanediol |
| 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/c1-11(2,14)8-12(3,15)9-4-6-10(13)7-5-9/h4-7,14-15H,8H2,1-3H3 |
| InChIKey | SNJDSTGQYRTZJT-UHFFFAOYSA-N |
| Molecular Weight | 228.719 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)C(O)(CC(O)(C)C)C |