| SpectraBase Compound ID | 6YgUdksKnhO |
|---|---|
| InChI | InChI=1S/C6H8O2/c1-4-3-5(2)8-6(4)7/h3,5H,1-2H3 |
| InChIKey | SAXRUMLUKZBSTO-UHFFFAOYSA-N |
| Mol Weight | 112.13 g/mol |
| Molecular Formula | C6H8O2 |
| Exact Mass | 112.052429 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1xCspZ2UwRy |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C6H8O2 |
| InChI | InChI=1S/C6H8O2/c1-4-3-5(2)8-6(4)7/h3,5H,1-2H3 |
| InChIKey | SAXRUMLUKZBSTO-UHFFFAOYSA-N |
| Molecular Weight | 112.0522 |
| SMILES | C1(=O)C(C)=CC(C)O1 |
| SPLASH | splash10-00kf-9100000000-0a729352e77bdeec4e40 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |