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1-(((2S,4R,E)-6-Iodo-4-methylhept-5-en-2-yl)oxy)-4-methoxybenzene
SpectraBase Compound ID 4IAztYnc2pp
InChI InChI=1S/C15H21IO2/c1-11(9-12(2)16)10-13(3)18-15-7-5-14(17-4)6-8-15/h5-9,11,13H,10H2,1-4H3/b12-9+/t11-,13-/m0/s1
InChIKey GFXBHVDLUXESFW-XLCKQVHISA-N
Mol Weight 360.24 g/mol
Molecular Formula C15H21IO2
Exact Mass 360.058625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FH13OqOTiK
Name 1-(((2S,4R,E)-6-Iodo-4-methylhept-5-en-2-yl)oxy)-4-methoxybenzene
Appearance Colorless oil
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Formula C15H21IO2
InChI InChI=1S/C15H21IO2/c1-11(9-12(2)16)10-13(3)18-15-7-5-14(17-4)6-8-15/h5-9,11,13H,10H2,1-4H3/b12-9+/t11-,13-/m0/s1
InChIKey GFXBHVDLUXESFW-XLCKQVHISA-N
Instrument Name Finnigan MAT 95 XL
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.53
Molecular Weight 360.235 g/mol
Optical Rotation [a]D29 = -4.5 (c = 1.30, CHCl3)
Reported Formula C15H21O2I
SMILES c1(ccc(cc1)OC)O[C@](C[C@](\C=C/(I)C)(C)[H])(C)[H]
SPLASH splash10-00di-1901000000-fe16e5f18b3aff535fe9
Source of Spectrum BJO-15-SM13-18
Thin-Layer Chromatography Rf = 0.58
Wiley ID 1841008