| SpectraBase Compound ID | 15iH77SGmtQ |
|---|---|
| InChI | InChI=1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3 |
| InChIKey | VKPSKYDESGTTFR-UHFFFAOYSA-N |
| Mol Weight | 170.34 g/mol |
| Molecular Formula | C12H26 |
| Exact Mass | 170.203451 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3KdFgBwebHs |
|---|---|
| Name | 2,2,4,6,6-Penatmethylheptane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.203450837 u |
| Formula | C12H26 |
| InChI | InChI=1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3 |
| InChIKey | VKPSKYDESGTTFR-UHFFFAOYSA-N |
| Molecular Weight | 170.340 g/mol |
| SMILES | C(C(C)(C)C)C(CC(C)(C)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.991008 |