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4-Methylene-2,2,7,7-tetramethyl-3,6-octanediol diasteroisomer

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

4-Methylene-2,2,7,7-tetramethyl-3,6-octanediol diasteroisomer
SpectraBase Compound ID 2XitCwollAn
InChI InChI=1S/C13H26O2/c1-9(11(15)13(5,6)7)8-10(14)12(2,3)4/h10-11,14-15H,1,8H2,2-7H3
InChIKey PNDUMUOTZMPROD-UHFFFAOYSA-N
Mol Weight 214.35 g/mol
Molecular Formula C13H26O2
Exact Mass 214.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AeI5OVNY1t
Name 4-Methylene-2,2,7,7-tetramethyl-3,6-octanediol diasteroisomer
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.193280075 u
Formula C13H26O2
InChI InChI=1S/C13H26O2/c1-9(11(15)13(5,6)7)8-10(14)12(2,3)4/h10-11,14-15H,1,8H2,2-7H3
InChIKey PNDUMUOTZMPROD-UHFFFAOYSA-N
Molecular Weight 214.349 g/mol
SMILES C(CC(C(C)(C)C)O)(C(C(C)(C)C)O)=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975611