| SpectraBase Compound ID | HF3lEVKbJMR |
|---|---|
| InChI | InChI=1S/C7H12O/c1-3-7(2)5-4-6-8/h4,8H,3,6H2,1-2H3 |
| InChIKey | XYIRVQHQRGJWDI-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 | 11YdzDZD44e |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-3-7(2)5-4-6-8/h4,8H,3,6H2,1-2H3 |
| InChIKey | XYIRVQHQRGJWDI-UHFFFAOYSA-N |
| Molecular Weight | 112.0885 |
| SMILES | OCC=C=C(C)CC |
| SPLASH | splash10-000y-9000000000-6db5afef6c7dfad3897c |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |