| SpectraBase Compound ID | EF8C64fNLNt |
|---|---|
| InChI | InChI=1S/C9H20/c1-5-6-7-8-9(2,3)4/h5-8H2,1-4H3 |
| InChIKey | PSABUFWDVWCFDP-UHFFFAOYSA-N |
| Mol Weight | 128.26 g/mol |
| Molecular Formula | C9H20 |
| Exact Mass | 128.156501 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Hyw2Vhi13j8 |
|---|---|
| Name | 2,2-Dimethylheptane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.156500644 u |
| Formula | C9H20 |
| InChI | InChI=1S/C9H20/c1-5-6-7-8-9(2,3)4/h5-8H2,1-4H3 |
| InChIKey | PSABUFWDVWCFDP-UHFFFAOYSA-N |
| Molecular Weight | 128.259 g/mol |
| SMILES | CCCCCC(C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.985227 |