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(3aR,6aR)-1,3-Dibenzyl-4-(5-oxohexylidene)-tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-one

View entire compound with spectra: 1 MS (GC)

(3aR,6aR)-1,3-Dibenzyl-4-(5-oxohexylidene)-tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-one
SpectraBase Compound ID 1zTYJkJV3AZ
InChI InChI=1S/C25H28N2O2S/c1-19(28)10-8-9-15-23-24-22(18-30-23)26(16-20-11-4-2-5-12-20)25(29)27(24)17-21-13-6-3-7-14-21/h2-7,11-15,22,24H,8-10,16-18H2,1H3/b23-15-/t22-,24-/m0/s1
InChIKey VJOJSFSTUXMLOS-JAARIEPBSA-N
Mol Weight 420.57 g/mol
Molecular Formula C25H28N2O2S
Exact Mass 420.187149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lx38MFekm8V
Name (3aR,6aR)-1,3-Dibenzyl-4-(5-oxohexylidene)-tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28N2O2S
InChI InChI=1S/C25H28N2O2S/c1-19(28)10-8-9-15-23-24-22(18-30-23)26(16-20-11-4-2-5-12-20)25(29)27(24)17-21-13-6-3-7-14-21/h2-7,11-15,22,24H,8-10,16-18H2,1H3/b23-15-/t22-,24-/m0/s1
InChIKey VJOJSFSTUXMLOS-JAARIEPBSA-N
Molecular Weight 420.571 g/mol
SMILES C1(N([C@]2(CS\C([C@]2(N1Cc1ccccc1)[H])=C\CCCC(=O)C)[H])Cc1ccccc1)=O
SPLASH splash10-0006-9000000000-8ff72471929251fcc087
Source of Spectrum SO-0-2007-10
Synonyms (3aR,4Z,6aR)-1,3-dibenzyl-4-(5-oxohexylidene)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one (3aS,6aR)-1,3-Dibenzyl-4-(5-oxohexylidene)-tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-one
Wiley ID 878457