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2-[(1S,2R,3R,6R)-2,6-Dimethyl-3-(2-methyl[1,3]dioxolan-2-yl)cyclohexyl]ethanol
SpectraBase Compound ID 52QBebQ07vT
InChI InChI=1S/C14H26O3/c1-10-4-5-13(11(2)12(10)6-7-15)14(3)16-8-9-17-14/h10-13,15H,4-9H2,1-3H3/t10-,11-,12+,13-/m1/s1
InChIKey OMQIPBWPNHOBKP-FVCCEPFGSA-N
Mol Weight 242.36 g/mol
Molecular Formula C14H26O3
Exact Mass 242.188195 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EtxWZqaJKNA
Name 2-[(1S,2R,3R,6R)-2,6-Dimethyl-3-(2-methyl[1,3]dioxolan-2-yl)cyclohexyl]ethanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.188194694 u
Formula C14H26O3
InChI InChI=1S/C14H26O3/c1-10-4-5-13(11(2)12(10)6-7-15)14(3)16-8-9-17-14/h10-13,15H,4-9H2,1-3H3/t10-,11-,12+,13-/m1/s1
InChIKey OMQIPBWPNHOBKP-FVCCEPFGSA-N
Molecular Weight 242.359 g/mol
SMILES C1([C@]2([C@@]([C@@](CCO)([C@@](CC2)(C)[H])[H])(C)[H])[H])(OCCO1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969128