| SpectraBase Compound ID | IHDkUWLguWI |
|---|---|
| InChI | InChI=1S/C23H30O/c1-11-13(3)17(7)21(18(8)14(11)4)23(24)22-19(9)15(5)12(2)16(6)20(22)10/h1-10H3 |
| InChIKey | JVNMBCCTRRJHBQ-UHFFFAOYSA-N |
| Mol Weight | 322.49 g/mol |
| Molecular Formula | C23H30O |
| Exact Mass | 322.229666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | qksWvBFCaL |
|---|---|
| Name | di(Pentamethylphenyl)ketone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.229665585 u |
| Formula | C23H30O |
| InChI | InChI=1S/C23H30O/c1-11-13(3)17(7)21(18(8)14(11)4)23(24)22-19(9)15(5)12(2)16(6)20(22)10/h1-10H3 |
| InChIKey | JVNMBCCTRRJHBQ-UHFFFAOYSA-N |
| Molecular Weight | 322.492 g/mol |
| SMILES | CC1=C(C(=O)C=2C(C)=C(C)C(C)=C(C2C)C)C(C)=C(C(=C1C)C)C |