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(2R,3R)-1,2-o-(Methylethylidene)-4-cyclohexylbutane-1,2,3-triol

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

(2R,3R)-1,2-o-(Methylethylidene)-4-cyclohexylbutane-1,2,3-triol
SpectraBase Compound ID 6LiwsSLCZsl
InChI InChI=1S/C13H24O3/c1-13(2)15-9-12(16-13)11(14)8-10-6-4-3-5-7-10/h10-12,14H,3-9H2,1-2H3/t11-,12-/m1/s1
InChIKey BNTKSXPJVZICCI-VXGBXAGGSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JiKfYmxdwD7
Name (2R,3R)-1,2-o-(Methylethylidene)-4-cyclohexylbutane-1,2,3-triol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.172544630 u
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-13(2)15-9-12(16-13)11(14)8-10-6-4-3-5-7-10/h10-12,14H,3-9H2,1-2H3/t11-,12-/m1/s1
InChIKey BNTKSXPJVZICCI-VXGBXAGGSA-N
Molecular Weight 228.332 g/mol
SMILES C1(O[C@](CO1)([C@@](CC1CCCCC1)(O)[H])[H])(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.80602