SpectraBase Compound ID | ITFzX0k55hP |
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InChI | InChI=1S/C13H20O2/c1-10(14)7-9-13(4)11(15)6-5-8-12(13,2)3/h7,9H,5-6,8H2,1-4H3/b9-7+ |
InChIKey | JZSQQLOCLXGZCS-VQHVLOKHSA-N |
Mol Weight | 208.3 g/mol |
Molecular Formula | C13H20O2 |
Exact Mass | 208.14633 g/mol |
SpectraBase Spectrum ID | H7kaWeGsjwR |
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Name | Cyclohexanone, 2,3,3-trimethyl-2-(3-oxo-1-butenyl)-, (E)- |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 208.146329882 u |
Formula | C13H20O2 |
InChI | InChI=1S/C13H20O2/c1-10(14)7-9-13(4)11(15)6-5-8-12(13,2)3/h7,9H,5-6,8H2,1-4H3/b9-7+ |
InChIKey | JZSQQLOCLXGZCS-VQHVLOKHSA-N |
Molecular Weight | 208.301 g/mol |
SMILES | C1(\C=C\C(=O)C)(C(CCCC1=O)(C)C)C |