| SpectraBase Compound ID | KmcR8QIiV42 |
|---|---|
| InChI | InChI=1S/C12H20/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h7,12H,1-6,8-10H2 |
| InChIKey | RFFCUDDJJDOFLS-UHFFFAOYSA-N |
| Mol Weight | 164.29 g/mol |
| Molecular Formula | C12H20 |
| Exact Mass | 164.156501 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LuR1tmGoNJK |
|---|---|
| Name | 1-Cyclohexylcyclohexene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.156500644 u |
| Formula | C12H20 |
| InChI | InChI=1S/C12H20/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h7,12H,1-6,8-10H2 |
| InChIKey | RFFCUDDJJDOFLS-UHFFFAOYSA-N |
| Molecular Weight | 164.292 g/mol |
| SMILES | C1CC(C=2CCCCC2)CCC1 |
| Spectrum/Structure Validation Score (Raman) | 0.990514 |