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(5S,6R)-1-Iodo-5,6-bis[(2-methoxyethoxy)methoxy]cyclohex-1-ene
SpectraBase Compound ID AwZqtqdbU9e
InChI InChI=1S/C14H25IO6/c1-16-6-8-18-10-20-13-5-3-4-12(15)14(13)21-11-19-9-7-17-2/h4,13-14H,3,5-11H2,1-2H3/t13-,14-/m0/s1
InChIKey AZFFNXQNELJZRY-KBPBESRZSA-N
Mol Weight 416.25 g/mol
Molecular Formula C14H25IO6
Exact Mass 416.069584 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9XoD6PFPKH
Name (5S,6R)-1-Iodo-5,6-bis[(2-methoxyethoxy)methoxy]cyclohex-1-ene
Appearance Light brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H25IO6
InChI InChI=1S/C14H25IO6/c1-16-6-8-18-10-20-13-5-3-4-12(15)14(13)21-11-19-9-7-17-2/h4,13-14H,3,5-11H2,1-2H3/t13-,14-/m0/s1
InChIKey AZFFNXQNELJZRY-KBPBESRZSA-N
Instrument Name AUTOSPEC or Kratos Analytical Concept ISQ
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0005.a07
Molecular Weight 416.252 g/mol
Optical Rotation [a]D = +65.2 (c = 0.9)
SMILES C1C[C@@]([C@](C(=C1)I)(OCOCCOC)[H])(OCOCCOC)[H]
SPLASH splash10-000i-9001000000-17205f70b73d68764a54
Source of Spectrum ARK-2004-63-7
Thin-Layer Chromatography Rf = 0.2 (ethyl acetate/hexane, 1:1)
Wiley ID 1875783