Ethyl 5-Iodo-8-hydroxy-8-trifluoromethyl-7-oxabicyclo[4.3.0]nonane-9-carboxylate

SpectraBase Compound ID	ES302KjzOTS
InChI	InChI=1S/C12H16F3IO4/c1-2-19-10(17)8-6-4-3-5-7(16)9(6)20-11(8,18)12(13,14)15/h6-9,18H,2-5H2,1H3/t6-,7+,8-,9+,11+/m0/s1
InChIKey	MRURUXXBSSVCFK-KSFAHDSMSA-N Google Search
Mol Weight	408.16 g/mol
Molecular Formula	C12H16F3IO4
Exact Mass	408.004538 g/mol

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SpectraBase Spectrum ID	3k8Gg6j9f5l
Name	Ethyl 5-Iodo-8-hydroxy-8-trifluoromethyl-7-oxabicyclo[4.3.0]nonane-9-carboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H16F3IO4
InChI	InChI=1S/C12H16F3IO4/c1-2-19-10(17)8-6-4-3-5-7(16)9(6)20-11(8,18)12(13,14)15/h6-9,18H,2-5H2,1H3/t6-,7+,8-,9+,11+/m0/s1
InChIKey	MRURUXXBSSVCFK-KSFAHDSMSA-N
Molecular Weight	408.156 g/mol
SMILES	O[C@@]1([C@@]([C@@]2(CCC[C@]([C@@]2(O1)[H])(I)[H])[H])(C(=O)OCC)[H])C(F)(F)F
SPLASH	splash10-03di-0290000000-45823e044075fdf5ec86
Source of Spectrum	KC-0-2789-2
Synonyms	(1S,5R,6R,8R,9R)-Ethyl 5-Iodo-8-hydroxy-8-trifluoro-7-oxabicyclo[4.3.0]nonane-9-carboxylate Ethyl (1S,5R,6R,8R,9R) 5-Iodo-8-hydroxy-8-trifluoromethyl-7-oxabicyclo[4.3.0]nonane-9-carboxylate Ethyl 2-hydroxy-7-iodo-2-(trifluoromethyl)octahydro-1-benzofuran-3-carboxylate Ethyl 5-Iodo-8-hydroxy-8-trifluoro-7-oxabicyclo[4.3.0]nonane-9-carboxylate
Wiley ID	780074