| SpectraBase Compound ID | 50JvdeHJxCa |
|---|---|
| InChI | InChI=1S/C12H26/c1-5-7-8-12(4)10-9-11(3)6-2/h11-12H,5-10H2,1-4H3 |
| InChIKey | NQWFSCYWTXQNGG-UHFFFAOYSA-N |
| Mol Weight | 170.34 g/mol |
| Molecular Formula | C12H26 |
| Exact Mass | 170.203451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ATrkkS6Nfr9 |
|---|---|
| Name | Decane, 3,6-dimethyl- |
| 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/c1-5-7-8-12(4)10-9-11(3)6-2/h11-12H,5-10H2,1-4H3 |
| InChIKey | NQWFSCYWTXQNGG-UHFFFAOYSA-N |
| Molecular Weight | 170.340 g/mol |
| SMILES | C(C(CCCC)C)CC(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952535 |