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Ethyl trans-4-iodocyclohexane carboxylate

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

Ethyl trans-4-iodocyclohexane carboxylate
SpectraBase Compound ID 8wcdRG3Xkj1
InChI InChI=1S/C9H15IO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8H,2-6H2,1H3/t7-,8-
InChIKey STVLWAGUQVPCAZ-ZKCHVHJHSA-N
Mol Weight 282.12 g/mol
Molecular Formula C9H15IO2
Exact Mass 282.011675 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BMIwIxwTIPe
Name Ethyl trans-4-iodocyclohexane carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.011674721 u
Formula C9H15IO2
InChI InChI=1S/C9H15IO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8H,2-6H2,1H3/t7-,8-
InChIKey STVLWAGUQVPCAZ-ZKCHVHJHSA-N
Molecular Weight 282.121 g/mol
SMILES C1C[C@](C(=O)OCC)(CC[C@]1(I)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966301