| SpectraBase Compound ID | Js3Oq1Jnq1o |
|---|---|
| InChI | InChI=1S/C12H24/c1-9(2)11-6-5-7-12(8-11)10(3)4/h9-12H,5-8H2,1-4H3 |
| InChIKey | WDTCMYUFBNCSKK-UHFFFAOYSA-N |
| Mol Weight | 168.32 g/mol |
| Molecular Formula | C12H24 |
| Exact Mass | 168.187801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KC4IAgO2MHh |
|---|---|
| Name | 1,3-Diisopropylcyclohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.187800773 u |
| Formula | C12H24 |
| InChI | InChI=1S/C12H24/c1-9(2)11-6-5-7-12(8-11)10(3)4/h9-12H,5-8H2,1-4H3 |
| InChIKey | WDTCMYUFBNCSKK-UHFFFAOYSA-N |
| Molecular Weight | 168.324 g/mol |
| SMILES | C1C(CCCC1C(C)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962117 |