| SpectraBase Compound ID | 8Dlw0SE8nnB |
|---|---|
| InChI | InChI=1S/C6H8O2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3/b4-3+ |
| InChIKey | OTSKZNVDZOOHRX-ONEGZZNKSA-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 | LINJohzSZXJ |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C6H8O2 |
| InChI | InChI=1S/C6H8O2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3/b4-3+ |
| InChIKey | OTSKZNVDZOOHRX-ONEGZZNKSA-N |
| Molecular Weight | 112.0522 |
| SMILES | CC(\C=C\C(C)=O)=O |
| SPLASH | splash10-0007-9100000000-cadb4f7be556530916f4 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |