SpectraBase Compound ID | Ad5BqiKHQTy |
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InChI | InChI=1S/C11H20O/c1-9-6-5-7-10(8-9)12-11(2,3)4/h8-9H,5-7H2,1-4H3 |
InChIKey | LNFFARVHBDBDOX-UHFFFAOYSA-N |
Mol Weight | 168.28 g/mol |
Molecular Formula | C11H20O |
Exact Mass | 168.151415 g/mol |
SpectraBase Spectrum ID | DoKtAki16Gr |
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Name | Cyclohexene, 1-(1,1-dimethylethoxy)-3-methyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 168.151415263 u |
Formula | C11H20O |
InChI | InChI=1S/C11H20O/c1-9-6-5-7-10(8-9)12-11(2,3)4/h8-9H,5-7H2,1-4H3 |
InChIKey | LNFFARVHBDBDOX-UHFFFAOYSA-N |
Molecular Weight | 168.280 g/mol |
SMILES | C(OC1=CC(C)CCC1)(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939903 |