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5,5-Diphenyl-3-(hydroxymethyl)hydantoin, octanoate (ester)

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5,5-Diphenyl-3-(hydroxymethyl)hydantoin, octanoate (ester)
SpectraBase Compound ID 4glSCk72H6p
InChI InChI=1S/C24H28N2O4/c1-2-3-4-5-12-17-21(27)30-18-26-22(28)24(25-23(26)29,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6-11,13-16H,2-5,12,17-18H2,1H3,(H,25,29)
InChIKey IDZYLIZKJFAXAS-UHFFFAOYSA-N
Mol Weight 408.5 g/mol
Molecular Formula C24H28N2O4
Exact Mass 408.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69DSzpNb2ki
Name 5,5-Diphenyl-3-(hydroxymethyl)hydantoin, octanoate (ester)
Comments Computed using HOSE algorithm
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Exact Mass 408.204907386 u
Formula C24H28N2O4
InChI InChI=1S/C24H28N2O4/c1-2-3-4-5-12-17-21(27)30-18-26-22(28)24(25-23(26)29,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6-11,13-16H,2-5,12,17-18H2,1H3,(H,25,29)
InChIKey IDZYLIZKJFAXAS-UHFFFAOYSA-N
Molecular Weight 408.498 g/mol
SMILES N1C(C(N(C1=O)COC(CCCCCCC)=O)=O)(C1=CC=CC=C1)C=1C=CC=CC1