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1-Iodo-3,6,10-trimethyl-1,5,9-undecatriene

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1-Iodo-3,6,10-trimethyl-1,5,9-undecatriene
SpectraBase Compound ID DsFP3hm9RtS
InChI InChI=1S/C14H23I/c1-12(2)6-5-7-13(3)8-9-14(4)10-11-15/h6,8,10-11,14H,5,7,9H2,1-4H3/b11-10+,13-8+
InChIKey OIEFKFLBFFLTEG-OGFJCPFKSA-N
Mol Weight 318.24 g/mol
Molecular Formula C14H23I
Exact Mass 318.084446 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Km6UlNzCu8j
Name 1-Iodo-3,6,10-trimethyl-1,5,9-undecatriene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.084445741 u
Formula C14H23I
InChI InChI=1S/C14H23I/c1-12(2)6-5-7-13(3)8-9-14(4)10-11-15/h6,8,10-11,14H,5,7,9H2,1-4H3/b11-10+,13-8+
InChIKey OIEFKFLBFFLTEG-OGFJCPFKSA-N
Molecular Weight 318.242 g/mol
SMILES C(\C(=C\CC(\C=C\I)C)C)CC=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901169