| SpectraBase Compound ID | 1qJL3BKTa8m |
|---|---|
| InChI | InChI=1S/C8H12O/c1-6(2)5-7-3-4-8(7)9/h5,7H,3-4H2,1-2H3 |
| InChIKey | XDDUMYKLMJCQQH-UHFFFAOYSA-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 | JY4Zvs7XZt9 |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-6(2)5-7-3-4-8(7)9/h5,7H,3-4H2,1-2H3 |
| InChIKey | XDDUMYKLMJCQQH-UHFFFAOYSA-N |
| Molecular Weight | 124.0885 |
| SMILES | C1(C=C(C)C)CCC1=O |
| SPLASH | splash10-00lr-9000000000-9cad0458d5e1d446dac1 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |