| SpectraBase Compound ID | ClwX0E72fmw |
|---|---|
| InChI | InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3 |
| InChIKey | HJOVHMDZYOCNQW-UHFFFAOYSA-N |
| Mol Weight | 138.21 g/mol |
| Molecular Formula | C9H14O |
| Exact Mass | 138.104465 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5RWVzezqZzo |
|---|---|
| Name | Isophorone |
| Source of Sample | Carbide & Carbon Chemicals Corporation, New York, New York |
| CAS Registry Number | 78-59-1 |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Density | (20/20C) 0.9229 |
| Formula | C9H14O |
| InChI | InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3 |
| InChIKey | HJOVHMDZYOCNQW-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 7311M |
| Solvent | CCl4 |
| Synonyms | 3,5,5-Trimethyl-2-cyclohexen-1-one |