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2-[(4S,5S)-5-Benzyloxymethyl-2,2,4-trimethyl-1,3-dioxol-4-ylethynyl]-3,5,6-trimethyl-1,4-benzoquinone
SpectraBase Compound ID FGg8cAm3Vjg
InChI InChI=1S/C25H28O5/c1-16-17(2)23(27)20(18(3)22(16)26)12-13-25(6)21(29-24(4,5)30-25)15-28-14-19-10-8-7-9-11-19/h7-11,21H,14-15H2,1-6H3
InChIKey FXLZDKUWCHPWPO-UHFFFAOYSA-N
Mol Weight 408.49 g/mol
Molecular Formula C25H28O5
Exact Mass 408.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hZGBs1rVMB
Name 2-[(4S,5S)-5-Benzyloxymethyl-2,2,4-trimethyl-1,3-dioxol-4-ylethynyl]-3,5,6-trimethyl-1,4-benzoquinone
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Formula C25H28O5
InChI InChI=1S/C25H28O5/c1-16-17(2)23(27)20(18(3)22(16)26)12-13-25(6)21(29-24(4,5)30-25)15-28-14-19-10-8-7-9-11-19/h7-11,21H,14-15H2,1-6H3
InChIKey FXLZDKUWCHPWPO-UHFFFAOYSA-N
Molecular Weight 408.494 g/mol
SMILES C1(=C(C(=O)C(=C(C1=O)C)C)C)C#CC1(OC(C)(C)OC1COCc1ccccc1)C
SPLASH splash10-0k96-6090000000-7af6237213b2331eeef9
Source of Spectrum SO-0-883-17
Synonyms 5-O-benzyl-1,2-dideoxy-3-C-methyl-3,4-O-(1-methylethylidene)-1-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-L-threo-pent-1-ynitol
Wiley ID 874676