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Methyl S-3-(trifluoromethyl)-3-hydroxyheptanoate
SpectraBase Compound ID 8T4C8x6gUc7
InChI InChI=1S/C9H15F3O3/c1-3-4-5-8(14,9(10,11)12)6-7(13)15-2/h14H,3-6H2,1-2H3/t8-/m0/s1
InChIKey WVZMDWDPKPNFSV-QMMMGPOBSA-N
Mol Weight 228.21 g/mol
Molecular Formula C9H15F3O3
Exact Mass 228.097329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zUgPmhlT60
Name Methyl S-3-(trifluoromethyl)-3-hydroxyheptanoate
Alternate Name(s) Methyl S-3-(trifluoromethyl)-3-hydroxy-heptanoate
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Formula C9H15F3O3
InChI InChI=1S/C9H15F3O3/c1-3-4-5-8(14,9(10,11)12)6-7(13)15-2/h14H,3-6H2,1-2H3/t8-/m0/s1
InChIKey WVZMDWDPKPNFSV-QMMMGPOBSA-N
Molecular Weight 228.211 g/mol
SMILES O[C@](C(F)(F)F)(CC(=O)OC)CCCC
SPLASH splash10-0079-9700000000-7bdd71a82250771cca9b
Source of Spectrum K-127-577-39
Wiley ID 1229154