| SpectraBase Compound ID | DmA0sACPxEX |
|---|---|
| InChI | InChI=1S/C6H12O2/c1-2-3-6(8)4-5-7/h7H,2-5H2,1H3 |
| InChIKey | ITHSWIXXHGKFJW-UHFFFAOYSA-N |
| Mol Weight | 116.16 g/mol |
| Molecular Formula | C6H12O2 |
| Exact Mass | 116.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BvGTS2GQIxx |
|---|---|
| Name | 1-Hydroxyhexan-3-one |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H12O2 |
| InChI | InChI=1S/C6H12O2/c1-2-3-6(8)4-5-7/h7H,2-5H2,1H3 |
| InChIKey | ITHSWIXXHGKFJW-UHFFFAOYSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/cbic.202100372 |
| Molecular Weight | 116.160 g/mol |
| SMILES | OCCC(CCC)=O |
| SPLASH | splash10-00dl-9000000000-2ba549d3a926b4855416 |
| Source of Spectrum | CBC-22-SM46-40 |
| Wiley ID | 1865311 |