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Methyl 1-iodomethyl-2-oxocyclopentadecanoate

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

Methyl 1-iodomethyl-2-oxocyclopentadecanoate
SpectraBase Compound ID JxXscMj90w
InChI InChI=1S/C18H31IO3/c1-22-17(21)18(15-19)14-12-10-8-6-4-2-3-5-7-9-11-13-16(18)20/h2-15H2,1H3
InChIKey FFMNSYNFBZTPAG-UHFFFAOYSA-N
Mol Weight 422.35 g/mol
Molecular Formula C18H31IO3
Exact Mass 422.13179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8hHNrbluWBc
Name Methyl 1-iodomethyl-2-oxocyclopentadecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.131789855 u
Formula C18H31IO3
InChI InChI=1S/C18H31IO3/c1-22-17(21)18(15-19)14-12-10-8-6-4-2-3-5-7-9-11-13-16(18)20/h2-15H2,1H3
InChIKey FFMNSYNFBZTPAG-UHFFFAOYSA-N
Molecular Weight 422.347 g/mol
SMILES C1(C(=O)OC)(C(=O)CCCCCCCCCCCCC1)CI
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875771