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2-[4-[tris[4-(carboxymethyl)phenyl]methyl]phenyl]acetic acid
SpectraBase Compound ID JnLMY8u6BFs
InChI InChI=1S/C33H28O8/c34-29(35)17-21-1-9-25(10-2-21)33(26-11-3-22(4-12-26)18-30(36)37,27-13-5-23(6-14-27)19-31(38)39)28-15-7-24(8-16-28)20-32(40)41/h1-16H,17-20H2,(H,34,35)(H,36,37)(H,38,39)(H,40,41)
InChIKey YCWBZTNKWPEEDO-UHFFFAOYSA-N
Mol Weight 552.6 g/mol
Molecular Formula C33H28O8
Exact Mass 552.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OLOiyMb0gD
Name 2-[4-[tris[4-(carboxymethyl)phenyl]methyl]phenyl]acetic acid
Comments Less than 3 mono-isotopic peaks
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Formula C33H28O8
InChI InChI=1S/C33H28O8/c34-29(35)17-21-1-9-25(10-2-21)33(26-11-3-22(4-12-26)18-30(36)37,27-13-5-23(6-14-27)19-31(38)39)28-15-7-24(8-16-28)20-32(40)41/h1-16H,17-20H2,(H,34,35)(H,36,37)(H,38,39)(H,40,41)
InChIKey YCWBZTNKWPEEDO-UHFFFAOYSA-N
Molecular Weight 552.579 g/mol
SMILES OC(Cc1ccc(C(c2ccc(CC(=O)O)cc2)(c2ccc(CC(=O)O)cc2)c2ccc(CC(=O)O)cc2)cc1)=O
SPLASH splash10-014i-0000910000-e475421dbb098a4f6667
Source of Spectrum C5-2002-1160-7
Wiley ID 1614694