| SpectraBase Compound ID | Hc7gMfprR3G |
|---|---|
| InChI | InChI=1S/C12H20/c1-9-7-10(2)12(5,6)11(3,4)8-9/h7-8H,1-6H3 |
| InChIKey | CIOJWLMRGFSYSW-UHFFFAOYSA-N |
| Mol Weight | 164.29 g/mol |
| Molecular Formula | C12H20 |
| Exact Mass | 164.156501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7qzGVDFo2lK |
|---|---|
| Name | 1,3-Cyclohexadiene, 1,3,5,5,6,6-hexamethyl- |
| 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/c1-9-7-10(2)12(5,6)11(3,4)8-9/h7-8H,1-6H3 |
| InChIKey | CIOJWLMRGFSYSW-UHFFFAOYSA-N |
| Molecular Weight | 164.292 g/mol |
| SMILES | CC=1C=C(C)C(C)(C)C(C1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851638 |