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3-[2'-(4'',4'',4''-Trifluoro-3"-hydroxybutyl]-[1,3]dithiane-2'-yl]acrylic acid
SpectraBase Compound ID DkhhQ1FpKUA
InChI InChI=1S/C11H15F3O3S2/c12-11(13,14)8(15)2-4-10(5-3-9(16)17)18-6-1-7-19-10/h3,5,8,15H,1-2,4,6-7H2,(H,16,17)/b5-3+
InChIKey XHAJLDPUEVEBRM-HWKANZROSA-N
Mol Weight 316.35 g/mol
Molecular Formula C11H15F3O3S2
Exact Mass 316.041471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQgpsYBiYIt
Name 3-[2'-(4'',4'',4''-Trifluoro-3"-hydroxybutyl]-[1,3]dithiane-2'-yl]acrylic acid
Alternate Name(s) (2E)-3-[2-(4,4,4-trifluoro-3-hydroxybutyl)-1,3-dithian-2-yl]-2-propenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15F3O3S2
InChI InChI=1S/C11H15F3O3S2/c12-11(13,14)8(15)2-4-10(5-3-9(16)17)18-6-1-7-19-10/h3,5,8,15H,1-2,4,6-7H2,(H,16,17)/b5-3+
InChIKey XHAJLDPUEVEBRM-HWKANZROSA-N
Molecular Weight 316.353 g/mol
SMILES OC(\C=C\C1(CCC(C(F)(F)F)O)SCCCS1)=O
SPLASH splash10-0aba-9610000000-cfc045d2b50a9f74485b
Source of Spectrum U1-1999-2538-9
Wiley ID 752186