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syn-2,2,6-Trimethyl-5-methyleneheptane-3,4-diol

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

syn-2,2,6-Trimethyl-5-methyleneheptane-3,4-diol
SpectraBase Compound ID Fmmg71zZxIY
InChI InChI=1S/C11H22O2/c1-7(2)8(3)9(12)10(13)11(4,5)6/h7,9-10,12-13H,3H2,1-2,4-6H3
InChIKey YNMNKJFADUDPHC-UHFFFAOYSA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CLP3dwyEir1
Name syn-2,2,6-Trimethyl-5-methyleneheptane-3,4-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.161979946 u
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-7(2)8(3)9(12)10(13)11(4,5)6/h7,9-10,12-13H,3H2,1-2,4-6H3
InChIKey YNMNKJFADUDPHC-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
SMILES CC(C(C(C(C(C)C)=C)O)O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911609