(1S,5R,6R)-Ethyl 5-hydroxy-8-trifluoromethyl-7-oxabicyclo[4.3.0]non-8-ene-9-carboxylate isomer

SpectraBase Compound ID	6jdHHlbWyNL
InChI	InChI=1S/C12H15F3O4/c1-2-18-11(17)8-6-4-3-5-7(16)9(6)19-10(8)12(13,14)15/h6-7,9,16H,2-5H2,1H3/t6-,7+,9+/m0/s1
InChIKey	BMJDWAMLNKVDKL-LKEWCRSYSA-N Google Search
Mol Weight	280.24 g/mol
Molecular Formula	C12H15F3O4
Exact Mass	280.092243 g/mol

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SpectraBase Spectrum ID	2I7PtVqacC
Name	(1S,5R,6R)-Ethyl 5-hydroxy-8-trifluoromethyl-7-oxabicyclo[4.3.0]non-8-ene-9-carboxylate isomer
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H15F3O4
InChI	InChI=1S/C12H15F3O4/c1-2-18-11(17)8-6-4-3-5-7(16)9(6)19-10(8)12(13,14)15/h6-7,9,16H,2-5H2,1H3/t6-,7+,9+/m0/s1
InChIKey	BMJDWAMLNKVDKL-LKEWCRSYSA-N
Molecular Weight	280.243 g/mol
SMILES	O[C@]1([C@]2([C@](C(=C(O2)C(F)(F)F)C(=O)OCC)(CCC1)[H])[H])[H]
SPLASH	splash10-0076-3900000000-47956bb2c3b42c23df45
Source of Spectrum	KC-0-2790-4
Synonyms	Ethyl (3aS,7R,7aR)-7-hydroxy-2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran-3-carboxylate Ethyl 5-hydroxy-8-trifluoromethyl-7-oxabicyclo[4.3.0]non-8-ene-9-carboxylate isomer
Wiley ID	780071