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1,2-Dideoxy-3,4:6,7-di-O-isopropylidene-1,1-[bis(methylsulfanyl)]-2-C-(trifluoromethyl)-D-glycero-D-galacto-heptopyranose

View entire compound with spectra: 1 MS (GC)

1,2-Dideoxy-3,4:6,7-di-O-isopropylidene-1,1-[bis(methylsulfanyl)]-2-C-(trifluoromethyl)-D-glycero-D-galacto-heptopyranose
SpectraBase Compound ID LmiRk9dAEBA
InChI InChI=1S/C16H25F3O5S2/c1-13(2)20-7-8(21-13)9-10-11(23-14(3,4)22-10)12(15(17,18)19)16(24-9,25-5)26-6/h8-12H,7H2,1-6H3/t8?,9?,10-,11-,12-/m0/s1
InChIKey WBDMJVIDTLDJLF-ULOBAINLSA-N
Mol Weight 418.49 g/mol
Molecular Formula C16H25F3O5S2
Exact Mass 418.109551 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bt2HQ2pqID7
Name 1,2-Dideoxy-3,4:6,7-di-O-isopropylidene-1,1-[bis(methylsulfanyl)]-2-C-(trifluoromethyl)-D-glycero-D-galacto-heptopyranose
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25F3O5S2
InChI InChI=1S/C16H25F3O5S2/c1-13(2)20-7-8(21-13)9-10-11(23-14(3,4)22-10)12(15(17,18)19)16(24-9,25-5)26-6/h8-12H,7H2,1-6H3/t8?,9?,10-,11-,12-/m0/s1
InChIKey WBDMJVIDTLDJLF-ULOBAINLSA-N
Molecular Weight 418.486 g/mol
SMILES C1([C@@]([C@]2(OC(C)(C)O[C@]2(C(O1)C1OC(C)(C)OC1)[H])[H])(C(F)(F)F)[H])(SC)SC
SPLASH splash10-0229-0639200000-1fb8970a12865f9f8754
Source of Spectrum J-62-9112-5b
Wiley ID 1377016