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 |