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2,3-Dideoxy-4,5:6,7-di-isopropylidene-D-arabino-heptose
SpectraBase Compound ID Kq61XxqotIm
InChI InChI=1S/C13H24O5/c1-9(2)8(15)12(9,17)13(18)10(3,4)11(13,16)6-5-7-14/h8,14-18H,5-7H2,1-4H3/t8?,11-,12-,13-/m0/s1
InChIKey AFWFRTDDFGGXBC-ALNDVFNJSA-N
Mol Weight 260.33 g/mol
Molecular Formula C13H24O5
Exact Mass 260.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SODZE4n4nr
Name 2,3-Dideoxy-4,5:6,7-di-isopropylidene-D-arabino-heptose
Comments Note: The molecular formula of the structure shown is C13H24O5 - which differs from the formula reported for the mass spectrum (C14H26O4)
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Formula C14H26O4
InChI InChI=1S/C13H24O5/c1-9(2)8(15)12(9,17)13(18)10(3,4)11(13,16)6-5-7-14/h8,14-18H,5-7H2,1-4H3/t8?,11-,12-,13-/m0/s1
InChIKey AFWFRTDDFGGXBC-ALNDVFNJSA-N
Molecular Weight 260.330 g/mol
SMILES OCCC[C@]1([C@]([C@@]2(C(C2(C)C)O)O)(C1(C)C)O)O
SPLASH splash10-0a4i-9610000000-305a5150b0e396873d17
Source of Spectrum SO-0-381-13
Wiley ID 877397