| SpectraBase Compound ID | AhlYZs66WN1 |
|---|---|
| InChI | InChI=1S/C8H12/c1-7-3-5-8(2)6-4-7/h3,6H,4-5H2,1-2H3 |
| InChIKey | SUXVTICOXXNSKI-UHFFFAOYSA-N |
| Mol Weight | 108.18 g/mol |
| Molecular Formula | C8H12 |
| Exact Mass | 108.0939 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CKjMl4dZKqo |
|---|---|
| Name | 1,4-Dimethyl-1,4-cyclohexadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 108.093900386 u |
| Formula | C8H12 |
| InChI | InChI=1S/C8H12/c1-7-3-5-8(2)6-4-7/h3,6H,4-5H2,1-2H3 |
| InChIKey | SUXVTICOXXNSKI-UHFFFAOYSA-N |
| Molecular Weight | 108.184 g/mol |
| SMILES | C1C=C(CC=C1C)C |
| Spectrum/Structure Validation Score (Raman) | 0.961759 |