| SpectraBase Compound ID | L0OPEWeoCjZ |
|---|---|
| InChI | InChI=1S/C9H20/c1-7(2)6-9(5)8(3)4/h7-9H,6H2,1-5H3 |
| InChIKey | ODGLTLJZCVNPBU-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 | 2dD65PhvFBQ |
|---|---|
| Name | 2,3,5-Trimethylhexane |
| 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/c1-7(2)6-9(5)8(3)4/h7-9H,6H2,1-5H3 |
| InChIKey | ODGLTLJZCVNPBU-UHFFFAOYSA-N |
| Molecular Weight | 128.259 g/mol |
| SMILES | CC(CC(C(C)C)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.96977 |