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2-Iodo-6-hexadecylazulene
SpectraBase Compound ID L2WVHfCsJDz
InChI InChI=1S/C26H39I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-17-19-24-21-26(27)22-25(24)20-18-23/h17-22H,2-16H2,1H3
InChIKey AJFDOOMJNSBDHJ-UHFFFAOYSA-N
Mol Weight 478.5 g/mol
Molecular Formula C26H39I
Exact Mass 478.209646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Am8h9Iz46hb
Name 2-Iodo-6-hexadecylazulene
Alternate Name(s) 6-Hexadecyl-2-iodoazulene
Comments Less than 3 mono-isotopic peaks
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Formula C26H39I
InChI InChI=1S/C26H39I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-17-19-24-21-26(27)22-25(24)20-18-23/h17-22H,2-16H2,1H3
InChIKey AJFDOOMJNSBDHJ-UHFFFAOYSA-N
Molecular Weight 478.502 g/mol
SMILES c12c(cc(c2)I)ccc(cc1)CCCCCCCCCCCCCCCC
SPLASH splash10-004i-0003900000-f5b6276397b61fd1b25c
Source of Spectrum F-66-8311-13
Wiley ID 1684723