| SpectraBase Compound ID | 7p9qAlDRNJ3 |
|---|---|
| InChI | InChI=1S/2C7H12O2/c2*1-3-6(8)5-7(9)4-2/h3-5H2,1-2H3;5,8H,3-4H2,1-2H3/b;6-5- |
| InChIKey | OAQCZHXUWGBMMW-JXGYXAOLSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4r4zMqYMNke |
|---|---|
| Name | 3,5-HEPTANEDIONE |
| Source of Sample | Eastman Organic Chemicals, Rochester, New York |
| Boiling Point | 46-48C/6mm |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O2 |
| InChI | InChI=1S/2C7H12O2/c2*1-3-6(8)5-7(9)4-2/h3-5H2,1-2H3;5,8H,3-4H2,1-2H3/b;6-5- |
| InChIKey | OAQCZHXUWGBMMW-JXGYXAOLSA-N |
| Molecular Weight | 128.17 |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |