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1-(3'-Iodo-2'-methylpropyl)cyclododecanone

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

1-(3'-Iodo-2'-methylpropyl)cyclododecanone
SpectraBase Compound ID FwKiNGwSlUk
InChI InChI=1S/C16H29IO/c1-14(13-17)12-15-10-8-6-4-2-3-5-7-9-11-16(15)18/h14-15H,2-13H2,1H3
InChIKey WPHIOTMXCJLUMP-UHFFFAOYSA-N
Mol Weight 364.31 g/mol
Molecular Formula C16H29IO
Exact Mass 364.126311 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GAoWM0lnS61
Name 1-(3'-Iodo-2'-methylpropyl)cyclododecanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.126310553 u
Formula C16H29IO
InChI InChI=1S/C16H29IO/c1-14(13-17)12-15-10-8-6-4-2-3-5-7-9-11-16(15)18/h14-15H,2-13H2,1H3
InChIKey WPHIOTMXCJLUMP-UHFFFAOYSA-N
Molecular Weight 364.311 g/mol
SMILES C1(C(CC(CI)C)CCCCCCCCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938156