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L-Mannitol, 1-deoxy-, pentakis(trifluoroacetate)
SpectraBase Compound ID HonmcOkwiPo
InChI InChI=1S/C16H9F15O10/c1-3(38-8(33)13(20,21)22)5(40-10(35)15(26,27)28)6(41-11(36)16(29,30)31)4(39-9(34)14(23,24)25)2-37-7(32)12(17,18)19/h3-6H,2H2,1H3
InChIKey NGTFCWJOYAUEKU-UHFFFAOYSA-N
Mol Weight 646.21 g/mol
Molecular Formula C16H9F15O10
Exact Mass 645.995619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jv7sgl5F3f
Name L-Mannitol, 1-deoxy-, pentakis(trifluoroacetate)
Alternate Name(s) 1-Deoxy-2,3,4,5,6-pentakis-O-(trifluoroacetyl)hexitol 2,2,2-trifluoroacetic acid 2,3,4,5-tetrakis(2,2,2-trifluoro-1-oxoethoxy)hexyl ester 2,2,2-trifluoroacetic acid 2,3,4,5-tetrakis[(2,2,2-trifluoroacetyl)oxy]hexyl ester 2,3,4,5-tetrakis[(2,2,2-trifluoroacetyl)oxy]hexyl 2,2,2-trifluoroacetate 2,3,4,5-tetrakis[2,2,2-tris(fluoranyl)ethanoyloxy]hexyl 2,2,2-tris(fluoranyl)ethanoate
CAS Registry Number 26293-33-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9F15O10
InChI InChI=1S/C16H9F15O10/c1-3(38-8(33)13(20,21)22)5(40-10(35)15(26,27)28)6(41-11(36)16(29,30)31)4(39-9(34)14(23,24)25)2-37-7(32)12(17,18)19/h3-6H,2H2,1H3
InChIKey NGTFCWJOYAUEKU-UHFFFAOYSA-N
Molecular Weight 646.214 g/mol
SMILES C(C(C(COC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)(C(OC(C(F)(F)F)=O)C)OC(C(F)(F)F)=O
SPLASH splash10-0gc0-9610000000-a1b46dd22e95a2e6b61b
Source of Spectrum O-2-9495-0
Wiley ID 1412884