| SpectraBase Compound ID | 1uYv8jKD1C1 |
|---|---|
| InChI | InChI=1S/C12H15ClO/c1-3-9(2)8-12(14)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3 |
| InChIKey | IGGCAUDGNQWSSD-UHFFFAOYSA-N |
| Mol Weight | 210.7 g/mol |
| Molecular Formula | C12H15ClO |
| Exact Mass | 210.081143 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1r5dhgY2UPa |
|---|---|
| Name | 1-Pentanone, 1-(4-chlorophenyl)-3-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.081142802 u |
| Formula | C12H15ClO |
| InChI | InChI=1S/C12H15ClO/c1-3-9(2)8-12(14)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3 |
| InChIKey | IGGCAUDGNQWSSD-UHFFFAOYSA-N |
| Molecular Weight | 210.704 g/mol |
| SMILES | C(=O)(C1=CC=C(Cl)C=C1)CC(C)CC |