SpectraBase Compound ID | 7xstf1gpy8d |
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InChI | InChI=1S/C12H18O/c1-5-6-10-9(2)7-12(3,4)8-11(10)13/h5H,1,6-8H2,2-4H3 |
InChIKey | FVUNTBDGUHBYRC-UHFFFAOYSA-N |
Mol Weight | 178.27 g/mol |
Molecular Formula | C12H18O |
Exact Mass | 178.135765 g/mol |
SpectraBase Spectrum ID | GITC2yglrTD |
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Name | 2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(2-propenyl)- |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 178.135765199 u |
Formula | C12H18O |
InChI | InChI=1S/C12H18O/c1-5-6-10-9(2)7-12(3,4)8-11(10)13/h5H,1,6-8H2,2-4H3 |
InChIKey | FVUNTBDGUHBYRC-UHFFFAOYSA-N |
Molecular Weight | 178.275 g/mol |
SMILES | C(C=C)C1=C(C)CC(CC1=O)(C)C |