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Heptan-1,2,3,4-tetrabenzoate isomer
SpectraBase Compound ID CotgbPKC3B9
InChI InChI=1S/C35H32O8/c1-2-15-29(41-33(37)26-18-9-4-10-19-26)31(43-35(39)28-22-13-6-14-23-28)30(42-34(38)27-20-11-5-12-21-27)24-40-32(36)25-16-7-3-8-17-25/h3-14,16-23,29-31H,2,15,24H2,1H3
InChIKey QULPTPPZEUNELX-UHFFFAOYSA-N
Mol Weight 580.6 g/mol
Molecular Formula C35H32O8
Exact Mass 580.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Ja7O6kTMIi
Name Heptan-1,2,3,4-tetrabenzoate isomer
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Formula C35H32O8
InChI InChI=1S/C35H32O8/c1-2-15-29(41-33(37)26-18-9-4-10-19-26)31(43-35(39)28-22-13-6-14-23-28)30(42-34(38)27-20-11-5-12-21-27)24-40-32(36)25-16-7-3-8-17-25/h3-14,16-23,29-31H,2,15,24H2,1H3
InChIKey QULPTPPZEUNELX-UHFFFAOYSA-N
Molecular Weight 580.633 g/mol
SMILES C(OC(=O)c1ccccc1)(C(OC(=O)c1ccccc1)COC(=O)c1ccccc1)C(OC(=O)c1ccccc1)CCC
SPLASH splash10-0a6r-6901000000-830e0c1f754d60f8fbdd
Source of Spectrum J-65-3439-10
Synonyms Heptan-1,2,3,4-tetrabenzoate 1,2,3,4-tetra-O-benzoyl-5,6,7-trideoxyheptitol
Wiley ID 1532324