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(2S,4S)-Di-O-(3,3-pentylidene)-3-O-trifluoromethylsulfonylarabitol
SpectraBase Compound ID 3cplSI2vdJn
InChI InChI=1S/C16H27F3O7S/c1-5-14(6-2)22-9-11(24-14)13(26-27(20,21)16(17,18)19)12-10-23-15(7-3,8-4)25-12/h11-13H,5-10H2,1-4H3/t11-,12-/m0/s1
InChIKey MVKVMSMCOAFMMF-RYUDHWBXSA-N
Mol Weight 420.44 g/mol
Molecular Formula C16H27F3O7S
Exact Mass 420.142959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TA2MuMDbHA
Name (2S,4S)-Di-O-(3,3-pentylidene)-3-O-trifluoromethylsulfonylarabitol
Alternate Name(s) bis[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]methyl trifluoromethanesulfonate bis[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]methyl tris(fluoranyl)methanesulfonate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H27F3O7S
InChI InChI=1S/C16H27F3O7S/c1-5-14(6-2)22-9-11(24-14)13(26-27(20,21)16(17,18)19)12-10-23-15(7-3,8-4)25-12/h11-13H,5-10H2,1-4H3/t11-,12-/m0/s1
InChIKey MVKVMSMCOAFMMF-RYUDHWBXSA-N
Molecular Weight 420.440 g/mol
SMILES C(S(OC([C@]1(OC(CC)(CC)OC1)[H])[C@]1(OC(CC)(CC)OC1)[H])(=O)=O)(F)(F)F
SPLASH splash10-0a4i-0009000000-c6b07b8a8ea934f19968
Source of Spectrum F-68-8254-7
Wiley ID 1573612