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Methyl ( 6S / 6R)-2,6-dimethyl-1-oxocyclohexane-2-carboxylate

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

Methyl ( 6S / 6R)-2,6-dimethyl-1-oxocyclohexane-2-carboxylate
SpectraBase Compound ID 8pT5OSC4OYs
InChI InChI=1S/C10H16O3/c1-7-5-4-6-10(2,8(7)11)9(12)13-3/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
InChIKey INZUUZFWBPLGKK-OIBJUYFYSA-N
Mol Weight 184.23 g/mol
Molecular Formula C10H16O3
Exact Mass 184.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2VCWJOon9Ch
Name Methyl ( 6S / 6R)-2,6-dimethyl-1-oxocyclohexane-2-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 184.109944372 u
Formula C10H16O3
InChI InChI=1S/C10H16O3/c1-7-5-4-6-10(2,8(7)11)9(12)13-3/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
InChIKey INZUUZFWBPLGKK-OIBJUYFYSA-N
Molecular Weight 184.235 g/mol
SMILES [C@]1(C(=O)[C@@](C)(CCC1)[H])(C(=O)OC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899817