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2,3,3,6,6,7-Hexamethyl-4-octyn-2,7-diol

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2,3,3,6,6,7-Hexamethyl-4-octyn-2,7-diol
SpectraBase Compound ID AelQe0O8UEe
InChI InChI=1S/C14H26O2/c1-11(2,13(5,6)15)9-10-12(3,4)14(7,8)16/h15-16H,1-8H3
InChIKey JTRFHAJFDIIZLM-UHFFFAOYSA-N
Mol Weight 226.36 g/mol
Molecular Formula C14H26O2
Exact Mass 226.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3FvS2OObiDq
Name 2,3,3,6,6,7-Hexamethyl-4-octyn-2,7-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.193280075 u
Formula C14H26O2
InChI InChI=1S/C14H26O2/c1-11(2,13(5,6)15)9-10-12(3,4)14(7,8)16/h15-16H,1-8H3
InChIKey JTRFHAJFDIIZLM-UHFFFAOYSA-N
Molecular Weight 226.360 g/mol
SMILES C(#CC(C(O)(C)C)(C)C)C(C(O)(C)C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931321