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Methyl 3-butoxy-2-hydroxy-2-trifluoromethyl-4-pentenoate
SpectraBase Compound ID 9T6KfiwNQAY
InChI InChI=1S/C11H17F3O4/c1-4-6-7-18-8(5-2)10(16,9(15)17-3)11(12,13)14/h5,8,16H,2,4,6-7H2,1,3H3/t8-,10-/m1/s1
InChIKey IZWPYHHWAURJDW-PSASIEDQSA-N
Mol Weight 270.25 g/mol
Molecular Formula C11H17F3O4
Exact Mass 270.107894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKf5VPqNDcM
Name Methyl 3-butoxy-2-hydroxy-2-trifluoromethyl-4-pentenoate
Alternate Name(s) (2R,3R)-3-Butoxy-2-hydroxy-2-trifluoromethyl-pent-4-enoic acid methyl ester Methyl 3-O-butyl-4,5-dideoxy-2-C-(trifluoromethyl)pent-4-enonate
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Formula C11H17F3O4
InChI InChI=1S/C11H17F3O4/c1-4-6-7-18-8(5-2)10(16,9(15)17-3)11(12,13)14/h5,8,16H,2,4,6-7H2,1,3H3/t8-,10-/m1/s1
InChIKey IZWPYHHWAURJDW-PSASIEDQSA-N
Molecular Weight 270.248 g/mol
SMILES O[C@@](C(F)(F)F)(C(=O)OC)[C@@](C=C)(OCCCC)[H]
SPLASH splash10-0a4i-9000000000-d2a05cf34515b67260bc
Source of Spectrum F-54-14027-3
Wiley ID 809727