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(1R,6S)-Ethyl 2,2,6-trimethylcyclohexylcarboxylate

View entire compound with spectra: 1 FTIR, and 4 MS (GC)

(1R,6S)-Ethyl 2,2,6-trimethylcyclohexylcarboxylate
SpectraBase Compound ID 6W94wlvliNv
InChI InChI=1S/C12H22O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h9-10H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKey TUEUDXZEBRMJEV-UWVGGRQHSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8lVg0kebJ53
Name (1R,6S)-Ethyl 2,2,6-trimethylcyclohexylcarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.161979946 u
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h9-10H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKey TUEUDXZEBRMJEV-UWVGGRQHSA-N
Molecular Weight 198.306 g/mol
SMILES C1CC[C@](C)([C@@](C(=O)OCC)(C1(C)C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.98955