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

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

5,5-Diphenyl-3-(hydroxymethyl)hydantoin, heptanoate (ester)
SpectraBase Compound ID 2YrVsXDFi4Q
InChI InChI=1S/C23H26N2O4/c1-2-3-4-11-16-20(26)29-17-25-21(27)23(24-22(25)28,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15H,2-4,11,16-17H2,1H3,(H,24,28)
InChIKey FFGKFDRZZAJYCH-UHFFFAOYSA-N
Mol Weight 394.47 g/mol
Molecular Formula C23H26N2O4
Exact Mass 394.189257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmhlcbcR947
Name 5,5-Diphenyl-3-(hydroxymethyl)hydantoin, heptanoate (ester)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.189257321 u
Formula C23H26N2O4
InChI InChI=1S/C23H26N2O4/c1-2-3-4-11-16-20(26)29-17-25-21(27)23(24-22(25)28,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15H,2-4,11,16-17H2,1H3,(H,24,28)
InChIKey FFGKFDRZZAJYCH-UHFFFAOYSA-N
Molecular Weight 394.471 g/mol
SMILES N1C(C(N(C1=O)COC(CCCCCC)=O)=O)(C1=CC=CC=C1)C=1C=CC=CC1