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2,3,6,7-Tetramethyl-octane
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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KA4BOIA4Ei2
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