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Methyl 3,4-dideoxy-6-O-acetyl-5,7-O-ethylidene-D-erythro-hept-3-en-1-ulosonate
SpectraBase Compound ID BPtrHQimQPO
InChI InChI=1S/C12H16O7/c1-7(13)18-11-6-17-8(2)19-10(11)5-4-9(14)12(15)16-3/h4-5,8,10-11H,6H2,1-3H3/b5-4+/t8-,10+,11-/m1/s1
InChIKey GRBBSFGJRFSJJA-MZGDZVRXSA-N
Mol Weight 272.25 g/mol
Molecular Formula C12H16O7
Exact Mass 272.089603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4DrZjbOfrX2
Name Methyl 3,4-dideoxy-6-O-acetyl-5,7-O-ethylidene-D-erythro-hept-3-en-1-ulosonate
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Formula C12H16O7
InChI InChI=1S/C12H16O7/c1-7(13)18-11-6-17-8(2)19-10(11)5-4-9(14)12(15)16-3/h4-5,8,10-11H,6H2,1-3H3/b5-4+/t8-,10+,11-/m1/s1
InChIKey GRBBSFGJRFSJJA-MZGDZVRXSA-N
Molecular Weight 272.253 g/mol
SMILES [C@@]1(O[C@@](OC[C@]1(OC(=O)C)[H])(C)[H])(\C=C\C(C(=O)OC)=O)[H]
SPLASH splash10-014i-0930000000-0ddcdb85e394f5935467
Source of Spectrum K-2002-1893-20
Wiley ID 1612998