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QNDBYGBRMNCSJX-UHFFFAOYSA-N
SpectraBase Compound ID B4cR1vLhpUN
InChI InChI=1S/C9H12O6/c1-4(10)15-3-5-2-6(11)8(13)9(14)7(5)12/h2,6,8-9,11,13-14H,3H2,1H3
InChIKey QNDBYGBRMNCSJX-UHFFFAOYSA-N
Mol Weight 216.19 g/mol
Molecular Formula C9H12O6
Exact Mass 216.063388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xywFNJZuLG
Name Gabosine D
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O6
InChI InChI=1S/C9H12O6/c1-4(10)15-3-5-2-6(11)8(13)9(14)7(5)12/h2,6,8-9,11,13-14H,3H2,1H3
InChIKey QNDBYGBRMNCSJX-UHFFFAOYSA-N
Molecular Weight 216.189 g/mol
SMILES OC1C(C(=CC(C1O)O)COC(=O)C)=O
SPLASH splash10-0005-9500000000-b463edc154b0327817b0
Source of Spectrum U-1993-247-4
Synonyms (3,4,5-trihydroxy-6-oxo-1-cyclohexen-1-yl)methyl acetate 4,5,6-Trihydroxy-2-(acetoxymethyl)-2-cyclohexenone
Wiley ID 764707