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[(2R,5R)-1-Acetyl-5-isopropenyl-2-methylcyclohexyl]acetaldehyde

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

[(2R,5R)-1-Acetyl-5-isopropenyl-2-methylcyclohexyl]acetaldehyde
SpectraBase Compound ID CbQUaDJSVEz
InChI InChI=1S/C14H22O2/c1-10(2)13-6-5-11(3)14(9-13,7-8-15)12(4)16/h8,11,13H,1,5-7,9H2,2-4H3/t11-,13-,14?/m0/s1
InChIKey CIAYEQDDLOMZTK-ULVQEXTCSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3MY7OfF9Lzp
Name [(2R,5R)-1-Acetyl-5-isopropenyl-2-methylcyclohexyl]acetaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.161979946 u
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-10(2)13-6-5-11(3)14(9-13,7-8-15)12(4)16/h8,11,13H,1,5-7,9H2,2-4H3/t11-,13-,14?/m0/s1
InChIKey CIAYEQDDLOMZTK-ULVQEXTCSA-N
Molecular Weight 222.328 g/mol
SMILES C1(C[C@@](C(=C)C)(CC[C@@]1(C)[H])[H])(C(=O)C)CC=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835035