| SpectraBase Compound ID | 4cVz3TFNd0G |
|---|---|
| InChI | InChI=1S/C8H12O/c1-3-5-7-8(9)6-4-2/h5,7-9H,3H2,1-2H3/b7-5+ |
| InChIKey | LVHNWVDSHQFNDA-FNORWQNLSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5waPhXJb2DC |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-3-5-7-8(9)6-4-2/h5,7-9H,3H2,1-2H3/b7-5+ |
| InChIKey | LVHNWVDSHQFNDA-FNORWQNLSA-N |
| Molecular Weight | 124.0885 |
| SMILES | OC(C#CC)\C=C\CC |
| SPLASH | splash10-00kb-9000000000-12c1e3a0ddbdd97f715c |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |