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S-3-Hydroxy-3-(trifluoromethyl)heptanoic acid
SpectraBase Compound ID 3ZGbhA44Hey
InChI InChI=1S/C8H13F3O3/c1-2-3-4-7(14,5-6(12)13)8(9,10)11/h14H,2-5H2,1H3,(H,12,13)/t7-/m0/s1
InChIKey SWRRGYBKCDWWFL-ZETCQYMHSA-N
Mol Weight 214.18 g/mol
Molecular Formula C8H13F3O3
Exact Mass 214.081679 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALNhN1dXMtl
Name S-3-Hydroxy-3-(trifluoromethyl)heptanoic acid
Alternate Name(s) (3S)-3-hydroxy-3-(trifluoromethyl)heptanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13F3O3
InChI InChI=1S/C8H13F3O3/c1-2-3-4-7(14,5-6(12)13)8(9,10)11/h14H,2-5H2,1H3,(H,12,13)/t7-/m0/s1
InChIKey SWRRGYBKCDWWFL-ZETCQYMHSA-N
Molecular Weight 214.184 g/mol
SMILES OC(C[C@@](C(F)(F)F)(O)CCCC)=O
SPLASH splash10-052o-9300000000-126eb19f282ff5d9bcd3
Source of Spectrum K-127-576-29
Wiley ID 1213021