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3,7-Dimethyl-2-(2'-propenyl)-1,6-octanediol

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

3,7-Dimethyl-2-(2'-propenyl)-1,6-octanediol
SpectraBase Compound ID 5IJj7dHTN80
InChI InChI=1S/C13H26O2/c1-5-6-12(9-14)11(4)7-8-13(15)10(2)3/h5,10-15H,1,6-9H2,2-4H3
InChIKey RYWJNZNLLLVFEE-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 EXQmeoZOHIi
Name 3,7-Dimethyl-2-(2'-propenyl)-1,6-octanediol
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/c1-5-6-12(9-14)11(4)7-8-13(15)10(2)3/h5,10-15H,1,6-9H2,2-4H3
InChIKey RYWJNZNLLLVFEE-UHFFFAOYSA-N
Molecular Weight 214.349 g/mol
SMILES C(CC(C(CC=C)CO)C)C(C(C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932678