| SpectraBase Compound ID | BlXVQqVEdyP |
|---|---|
| InChI | InChI=1S/C7H12O2/c8-7-5-3-1-2-4-6-9-7/h1-6H2 |
| InChIKey | BTLSLHNLDQCWKS-UHFFFAOYSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KE4aPbE4vWk |
|---|---|
| Name | 2-Oxocanone |
| CAS Registry Number | 539-87-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c8-7-5-3-1-2-4-6-9-7/h1-6H2 |
| InChIKey | BTLSLHNLDQCWKS-UHFFFAOYSA-N |
| Molecular Weight | 128.171 g/mol |
| SMILES | C1(OCCCCCC1)=O |
| SPLASH | splash10-00l2-9200000000-67de00e2c3045b2e80fe |
| Source of Spectrum | AJ-56-2031-0 |
| Synonyms | Heptanolactone Oxocan-2-one |
| Wiley ID | 1131380 |