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(+)-2,4,6-triphenylhexanoic acid, (mixture of gamma and delta epimers)

View entire compound with spectra: 2 NMR

(+)-2,4,6-triphenylhexanoic acid, (mixture of gamma and delta epimers)
SpectraBase Compound ID 8bLbUIO2rd3
InChI InChI=1S/2C24H24O2/c2*25-24(26)23(21-14-8-3-9-15-21)18-22(20-12-6-2-7-13-20)17-16-19-10-4-1-5-11-19/h2*1-15,22-23H,16-18H2,(H,25,26)
InChIKey HRNFGXRXCNUQDM-UHFFFAOYSA-N
Mol Weight 688.91 g/mol
Molecular Formula C48H48O4
Exact Mass 688.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6x68tlzFFnE
Name (+)-2,4,6-triphenylhexanoic acid, (mixture of gamma and delta epimers)
Comments Computed using HOSE algorithm
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Exact Mass 688.355260022 u
Formula C48H48O4
InChI InChI=1S/2C24H24O2/c2*25-24(26)23(21-14-8-3-9-15-21)18-22(20-12-6-2-7-13-20)17-16-19-10-4-1-5-11-19/h2*1-15,22-23H,16-18H2,(H,25,26)
InChIKey HRNFGXRXCNUQDM-UHFFFAOYSA-N
Molecular Weight 688.908 g/mol
SMILES OC(C(CC(CCC=1C=CC=CC1)C=1C=CC=CC1)C=1C=CC=CC1)=O.OC(C(CC(CCC=1C=CC=CC1)C=1C=CC=CC1)C=1C=CC=CC1)=O