SpectraBase Compound ID | KpmBPB0koBN |
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InChI | InChI=1S/C12H22/c1-2-3-4-6-9-12-10-7-5-8-11-12/h7,10,12H,2-6,8-9,11H2,1H3 |
InChIKey | OQKLIIQHYMWPMF-UHFFFAOYSA-N |
Mol Weight | 166.31 g/mol |
Molecular Formula | C12H22 |
Exact Mass | 166.172151 g/mol |
SpectraBase Spectrum ID | CwgRO7mo5bM |
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Name | Cyclohexene,3-hexyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 166.172150708 u |
Formula | C12H22 |
InChI | InChI=1S/C12H22/c1-2-3-4-6-9-12-10-7-5-8-11-12/h7,10,12H,2-6,8-9,11H2,1H3 |
InChIKey | OQKLIIQHYMWPMF-UHFFFAOYSA-N |
Molecular Weight | 166.308 g/mol |
SMILES | C1CCC(C=C1)CCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896462 |