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2-Imidazolidinone, 4-ethenyl-1,3-bis(phenylmethyl)-5-[[(phenylmethyl)thio]methyl]-, cis-(.+-.)-
SpectraBase Compound ID AirfFg1CO7v
InChI InChI=1S/C27H28N2OS/c1-2-25-26(21-31-20-24-16-10-5-11-17-24)29(19-23-14-8-4-9-15-23)27(30)28(25)18-22-12-6-3-7-13-22/h2-17,25-26H,1,18-21H2/t25-,26+/m1/s1
InChIKey ZCHWZNMWHPYUFE-FTJBHMTQSA-N
Mol Weight 428.59 g/mol
Molecular Formula C27H28N2OS
Exact Mass 428.192235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1U71DaxN2Ep
Name 2-Imidazolidinone, 4-ethenyl-1,3-bis(phenylmethyl)-5-[[(phenylmethyl)thio]methyl]-, cis-(.+-.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.192234703 u
Formula C27H28N2OS
InChI InChI=1S/C27H28N2OS/c1-2-25-26(21-31-20-24-16-10-5-11-17-24)29(19-23-14-8-4-9-15-23)27(30)28(25)18-22-12-6-3-7-13-22/h2-17,25-26H,1,18-21H2/t25-,26+/m1/s1
InChIKey ZCHWZNMWHPYUFE-FTJBHMTQSA-N
Molecular Weight 428.594 g/mol
SMILES C1(N([C@@](CSCC=2C=CC=CC2)([C@](N1CC=1C=CC=CC1)(C=C)[H])[H])CC=1C=CC=CC1)=O