| SpectraBase Compound ID | 8F3h0um5UyZ |
|---|---|
| InChI | InChI=1S/C8H16/c1-6-4-7(2)8(3)5-6/h6-8H,4-5H2,1-3H3/t6-,7-,8+ |
| InChIKey | PNUFYSGVPVMNRN-WHUPJOBBSA-N |
| Mol Weight | 112.22 g/mol |
| Molecular Formula | C8H16 |
| Exact Mass | 112.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FbEMwLZUqUa |
|---|---|
| Name | 1,cis-3,cis-4-Trimethylcyclohexane |
| 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/c1-6-4-7(2)8(3)5-6/h6-8H,4-5H2,1-3H3/t6-,7-,8+ |
| InChIKey | PNUFYSGVPVMNRN-WHUPJOBBSA-N |
| Molecular Weight | 112.216 g/mol |
| SMILES | [C@@]1([C@@](C[C@](C1)(C)[H])(C)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942519 |