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2-[1',1',1'-tris(Ethoxycarbonyl)ethyl]-5-[.alpha.,.alpha.-bis(ethoxycarbonyl)benzyl]furan
SpectraBase Compound ID DAKKB9S8qW
InChI InChI=1S/C28H35O11/c1-7-34-22(29)27(23(30)35-8-2,19-15-13-12-14-16-19)20-17-18-21(39-20)28(6,24(31)36-9-3,25(32)37-10-4)26(33)38-11-5/h12-18H,7-11H2,1-6H3
InChIKey FCAGTEYFEHOYGH-UHFFFAOYSA-N
Mol Weight 547.6 g/mol
Molecular Formula C28H35O11
Exact Mass 547.217937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8NRVPKxotXu
Name 2-[1',1',1'-tris(Ethoxycarbonyl)ethyl]-5-[.alpha.,.alpha.-bis(ethoxycarbonyl)benzyl]furan
Comments Note: The molecular formula of the structure shown is C28H35O11 - which differs from the formula reported for the mass spectrum (C26H32O9)
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Formula C26H32O9
InChI InChI=1S/C28H35O11/c1-7-34-22(29)27(23(30)35-8-2,19-15-13-12-14-16-19)20-17-18-21(39-20)28(6,24(31)36-9-3,25(32)37-10-4)26(33)38-11-5/h12-18H,7-11H2,1-6H3
InChIKey FCAGTEYFEHOYGH-UHFFFAOYSA-N
Molecular Weight 547.577 g/mol
SMILES c1(oc(cc1)C(c1ccccc1)(C(=O)OCC)C(=O)OCC)[C](C)(C(=O)OCC)(C(=O)OCC)C(=O)OCC
SPLASH splash10-001k-1096200000-01f490bb02946ba184b2
Source of Spectrum OP-29-592-4
Wiley ID 850799