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(.alpha.R,2R,5S,6R)-.alpha.,5-Dimethyl-6-[1(E)-1-ethyl-2-iodovinyl]tetrahydropyran-2-acetic Acid
SpectraBase Compound ID 4qi24zyKEqA
InChI InChI=1S/C13H21IO3/c1-4-10(7-14)12-8(2)5-6-11(17-12)9(3)13(15)16/h7-9,11-12H,4-6H2,1-3H3,(H,15,16)/b10-7+/t8-,9+,11+,12+/m0/s1
InChIKey KDFDZUBCRBTNFV-WKYYSHGSSA-N
Mol Weight 352.21 g/mol
Molecular Formula C13H21IO3
Exact Mass 352.05354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IkQrw3N26th
Name (.alpha.R,2R,5S,6R)-.alpha.,5-Dimethyl-6-[1(E)-1-ethyl-2-iodovinyl]tetrahydropyran-2-acetic Acid
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Formula C13H21IO3
InChI InChI=1S/C13H21IO3/c1-4-10(7-14)12-8(2)5-6-11(17-12)9(3)13(15)16/h7-9,11-12H,4-6H2,1-3H3,(H,15,16)/b10-7+/t8-,9+,11+,12+/m0/s1
InChIKey KDFDZUBCRBTNFV-WKYYSHGSSA-N
Molecular Weight 352.212 g/mol
SMILES OC([C@@]([C@@]1(O[C@@](\C(=C\I)CC)([C@@](C)(CC1)[H])[H])[H])(C)[H])=O
SPLASH splash10-0a4i-9030000000-050393e04829b3ca6a77
Source of Spectrum J-59-343-2
Synonyms (R)-2-((2R,5S,6R)-6-{1-[1-Iodo-meth-(E)-ylidene]-propyl}-5-methyl-tetrahydro-pyran-2-yl)-propionic acid (2R)-2-[(2R,5S,6R)-6-[(E)-1-iodobut-1-en-2-yl]-5-methyl-2-oxanyl]propanoic acid (2R)-2-[(2R,5S,6R)-6-[(E)-1-iodobut-1-en-2-yl]-5-methyloxan-2-yl]propanoic acid (2R)-2-[(2R,5S,6R)-6-[(1E)-1-(iodomethylene)propyl]-5-methyl-tetrahydropyran-2-yl]propanoic acid (2R)-2-[(2R,5S,6R)-6-[(E)-1-iodanylbut-1-en-2-yl]-5-methyl-oxan-2-yl]propanoic acid
Wiley ID 1342442