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(1R,2R,3R,5R)-3-Acetoxy-2-methyl-5-(1-propen-2-yl)cyclohexanol

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

(1R,2R,3R,5R)-3-Acetoxy-2-methyl-5-(1-propen-2-yl)cyclohexanol
SpectraBase Compound ID 8YChecHXdrs
InChI InChI=1S/C12H20O3/c1-7(2)10-5-11(14)8(3)12(6-10)15-9(4)13/h8,10-12,14H,1,5-6H2,2-4H3/t8-,10-,11-,12-/m1/s1
InChIKey MPGAVOHYUMDGOQ-HJQYOEGKSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JtQ0inBJwL7
Name (1R,2R,3R,5R)-3-Acetoxy-2-methyl-5-(1-propen-2-yl)cyclohexanol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.141244501 u
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-7(2)10-5-11(14)8(3)12(6-10)15-9(4)13/h8,10-12,14H,1,5-6H2,2-4H3/t8-,10-,11-,12-/m1/s1
InChIKey MPGAVOHYUMDGOQ-HJQYOEGKSA-N
Molecular Weight 212.289 g/mol
SMILES [C@]1([C@@]([C@](O)(C[C@](C1)(C(=C)C)[H])[H])(C)[H])(OC(=O)C)[H]