SpectraBase Compound ID | HHJKrFppgq0 |
---|---|
InChI | InChI=1S/C12H26/c1-9(2)11(5)7-8-12(6)10(3)4/h9-12H,7-8H2,1-6H3 |
InChIKey | FZCGYGCYZRXLDY-UHFFFAOYSA-N |
Mol Weight | 170.34 g/mol |
Molecular Formula | C12H26 |
Exact Mass | 170.203451 g/mol |
SpectraBase Spectrum ID | KA4BOIA4Ei2 |
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Name | 2,3,6,7-Tetramethyloctane |
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/c1-9(2)11(5)7-8-12(6)10(3)4/h9-12H,7-8H2,1-6H3 |
InChIKey | FZCGYGCYZRXLDY-UHFFFAOYSA-N |
Molecular Weight | 170.340 g/mol |
SMILES | C(C)(C)C(C)CCC(C(C)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958103 |