| SpectraBase Compound ID | XynTPXc5k2 |
|---|---|
| InChI | InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h1-2,7-8H,3-6H2 |
| InChIKey | VEIYJWQZNGASMA-UHFFFAOYSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | MkY9BlTuMD |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h1-2,7-8H,3-6H2 |
| InChIKey | VEIYJWQZNGASMA-UHFFFAOYSA-N |
| Molecular Weight | 112.0885 |
| SMILES | OCC1CCC=CC1 |
| SPLASH | splash10-004i-9000000000-2f47169b41c6754247bc |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |