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10-Oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylic acid, 4-(acetyloxy)-, diethyl ester, stereoisomer
SpectraBase Compound ID 5h35g4L9PUR
InChI InChI=1S/C20H26O7/c1-4-25-19(22)17-14-7-6-8-16(27-13(3)21)10-9-15(12-24-11-14)18(17)20(23)26-5-2/h11-12,16H,4-10H2,1-3H3
InChIKey TURZXWIFRVIXQV-UHFFFAOYSA-N
Mol Weight 378.42 g/mol
Molecular Formula C20H26O7
Exact Mass 378.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUf4Rac6kev
Name 10-Oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylic acid, 4-(acetyloxy)-, diethyl ester, stereoisomer
CAS Registry Number 108645-43-8
Comments Less than 3 mono-isotopic peaks
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Formula C20H26O7
InChI InChI=1S/C20H26O7/c1-4-25-19(22)17-14-7-6-8-16(27-13(3)21)10-9-15(12-24-11-14)18(17)20(23)26-5-2/h11-12,16H,4-10H2,1-3H3
InChIKey TURZXWIFRVIXQV-UHFFFAOYSA-N
Molecular Weight 378.421 g/mol
SMILES C1(=C(C(=O)OCC)C2=COC=C1CCC(OC(=O)C)CCC2)C(=O)OCC
SPLASH splash10-002f-0095000000-9e52c0895077d15c5ab3
Source of Spectrum K-119-309-3
Synonyms diethyl 4-acetoxy-10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxxylate diethyl 4-(acetyloxy)-10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate Diethyl 4-acetoxy-10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate
Wiley ID 1358716