| SpectraBase Compound ID | CrKi8FafKJX |
|---|---|
| InChI | InChI=1S/C14H24O/c1-11-7-6-10-14(3,4)13(11)9-5-8-12(2)15/h5-10H2,1-4H3 |
| InChIKey | GUJZIAONZIFXPF-UHFFFAOYSA-N |
| Mol Weight | 208.34 g/mol |
| Molecular Formula | C14H24O |
| Exact Mass | 208.182715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HtIXPZdyOhg |
|---|---|
| Name | 2-Pentanone, 5-(2,6,6-trimethyl-1-cyclohexen-1-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.182715392 u |
| Formula | C14H24O |
| InChI | InChI=1S/C14H24O/c1-11-7-6-10-14(3,4)13(11)9-5-8-12(2)15/h5-10H2,1-4H3 |
| InChIKey | GUJZIAONZIFXPF-UHFFFAOYSA-N |
| Molecular Weight | 208.345 g/mol |
| SMILES | C1(=C(CCCC1(C)C)C)CCCC(=O)C |