| SpectraBase Compound ID | 1BLPqrEeNaH |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h5-8H,3-4H2,1-2H3 |
| InChIKey | LVHLZMUFIYAEQB-UHFFFAOYSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | OUEuvHulgr |
|---|---|
| Name | Perilla ketone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.099379689 u |
| Formula | C10H14O2 |
| InChI | InChI=1S/C10H14O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h5-8H,3-4H2,1-2H3 |
| InChIKey | LVHLZMUFIYAEQB-UHFFFAOYSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | C=1OC=C(C1)C(=O)CCC(C)C |