| SpectraBase Compound ID | DoPSZbjsfMs |
|---|---|
| InChI | InChI=1S/C12H22/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h9-12H,3-8H2,1-2H3 |
| InChIKey | UBGLIVPMNDOOTE-UHFFFAOYSA-N |
| Mol Weight | 166.31 g/mol |
| Molecular Formula | C12H22 |
| Exact Mass | 166.172151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | TACO24wuyo |
|---|---|
| Name | Trans-syn-2-syn-3-dimethyldecalin |
| 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/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h9-12H,3-8H2,1-2H3 |
| InChIKey | UBGLIVPMNDOOTE-UHFFFAOYSA-N |
| Molecular Weight | 166.308 g/mol |
| SMILES | C1CC2CC(C(CC2CC1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938117 |