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2-Cyclohexen-1-one, 6-[1-(acetyloxy)-3-iodo-2,2-dimethylpropyl]-3,5-dimethyl-, [5.alpha.,6.beta.(R*)]-(.+-.)-
SpectraBase Compound ID 13sMisgXxw6
InChI InChI=1S/C15H23IO3/c1-9-6-10(2)13(12(18)7-9)14(19-11(3)17)15(4,5)8-16/h7,10,13-14H,6,8H2,1-5H3/t10-,13+,14+/m0/s1
InChIKey IMYLVWMXEVKCBT-ZLKJLUDKSA-N
Mol Weight 378.25 g/mol
Molecular Formula C15H23IO3
Exact Mass 378.06919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXJ35ikxeW8
Name 2-Cyclohexen-1-one, 6-[1-(acetyloxy)-3-iodo-2,2-dimethylpropyl]-3,5-dimethyl-, [5.alpha.,6.beta.(R*)]-(.+-.)-
CAS Registry Number 127579-44-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H23IO3
InChI InChI=1S/C15H23IO3/c1-9-6-10(2)13(12(18)7-9)14(19-11(3)17)15(4,5)8-16/h7,10,13-14H,6,8H2,1-5H3/t10-,13+,14+/m0/s1
InChIKey IMYLVWMXEVKCBT-ZLKJLUDKSA-N
Molecular Weight 378.250 g/mol
SMILES [C@]1(C(C=C(C[C@@]1(C)[H])C)=O)([C@](C(CI)(C)C)(OC(=O)C)[H])[H]
SPLASH splash10-0f77-0900000000-13d1e688c15b1fa2c469
Source of Spectrum F-45-6109-7
Synonyms (1R)-1-[(1S,6S)-4,6-dimethyl-2-oxo-3-cyclohexen-1-yl]-3-iodo-2,2-dimethylpropyl acetate E-(4,5)-1,5-dimethyl-4-(1-acetoxy-2,2-dimethyl-3-iodopropyl)cyclohexen-3-one
Wiley ID 1358496