Ethyl (1R,5S,6S,8R,9R)-5-Iodo-8-hydroxy-8-trifluoromethyl-7-oxa-bicyclo[4.3.0]nonane-9-carboxylate isomer

SpectraBase Compound ID	29pHLWN7fhl
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-/m1/s1
InChIKey	MRURUXXBSSVCFK-UJZKVOLQSA-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	GWPVS8VRA6c
Name	Ethyl (1R,5S,6S,8R,9R)-5-Iodo-8-hydroxy-8-trifluoromethyl-7-oxa-bicyclo[4.3.0]nonane-9-carboxylate isomer
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-/m1/s1
InChIKey	MRURUXXBSSVCFK-UJZKVOLQSA-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	splash10-004i-9210000000-ccd44e73fff1f0748dea
Source of Spectrum	KC-0-2789-2
Synonyms	(1R,5S,6S,8R,9R)-Ethyl 5-Iodo-8-hydroxy-8-trifluoro-7-oxabicyclo[4.3.0]nonane-9-carboxylate isomer Ethyl (2R,3R,3aR,7R,7aS)-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 isomer
Wiley ID	780073