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Ethyl (1R,2R,5R)-5-iodo-2-methylcyclohexane-1-carboxylate

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

Ethyl (1R,2R,5R)-5-iodo-2-methylcyclohexane-1-carboxylate
SpectraBase Compound ID 7AFe83gNL1J
InChI InChI=1S/C10H17IO2/c1-3-13-10(12)9-6-8(11)5-4-7(9)2/h7-9H,3-6H2,1-2H3/t7-,8-,9-/m1/s1
InChIKey JPBJPDNMZHDUCD-IWSPIJDZSA-N
Mol Weight 296.15 g/mol
Molecular Formula C10H17IO2
Exact Mass 296.027325 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JUpYiMFAma9
Name Ethyl (1R,2R,5R)-5-iodo-2-methylcyclohexane-1-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.027324785 u
Formula C10H17IO2
InChI InChI=1S/C10H17IO2/c1-3-13-10(12)9-6-8(11)5-4-7(9)2/h7-9H,3-6H2,1-2H3/t7-,8-,9-/m1/s1
InChIKey JPBJPDNMZHDUCD-IWSPIJDZSA-N
Molecular Weight 296.148 g/mol
SMILES [C@]1(C(=O)OCC)(C[C@](I)(CC[C@]1(C)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976412