| SpectraBase Compound ID | KDvAlCGQarb |
|---|---|
| InChI | InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3 |
| InChIKey | GXDHCNNESPLIKD-UHFFFAOYSA-N |
| Mol Weight | 100.2 g/mol |
| Molecular Formula | C7H16 |
| Exact Mass | 100.125201 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Bq3SIk2VDb4 |
|---|---|
| Name | 2-Methylhexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 100.125200515 u |
| Formula | C7H16 |
| InChI | InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3 |
| InChIKey | GXDHCNNESPLIKD-UHFFFAOYSA-N |
| Molecular Weight | 100.205 g/mol |
| SMILES | CCCCC(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.971662 |