| SpectraBase Compound ID | HRAqou8Uke7 |
|---|---|
| InChI | InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3/t7-,8- |
| InChIKey | QRMPKOFEUHIBNM-ZKCHVHJHSA-N |
| Mol Weight | 112.22 g/mol |
| Molecular Formula | C8H16 |
| Exact Mass | 112.125201 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BOpmu0CLWf |
|---|---|
| Name | Trans-1,4-dimethyl-cyclohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.125200515 u |
| Formula | C8H16 |
| InChI | InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3/t7-,8- |
| InChIKey | QRMPKOFEUHIBNM-ZKCHVHJHSA-N |
| Molecular Weight | 112.216 g/mol |
| SMILES | C[C@]1(CC[C@@](CC1)(C)[H])[H] |
| Spectrum/Structure Validation Score (Raman) | 0.94432 |