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(5R,6R)/(5S,6S)-8-(4-chlorophenyl)-6-(4-methoxyphenyl)-1-phenyl-2-thioxo-1,3,7-triazaspiro[4.4]non-8-en-4-one
SpectraBase Compound ID 8pHqrYKyhvO
InChI InChI=1S/C25H20ClN3O2S/c1-31-20-13-9-17(10-14-20)22-25(15-21(27-22)16-7-11-18(26)12-8-16)23(30)28-24(32)29(25)19-5-3-2-4-6-19/h2-15,22,27H,1H3,(H,28,30,32)
InChIKey VEZBOGYTEGMDDM-UHFFFAOYSA-N
Mol Weight 461.97 g/mol
Molecular Formula C25H20ClN3O2S
Exact Mass 461.096476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HkriFqYQS
Name (5R,6R)/(5S,6S)-8-(4-chlorophenyl)-6-(4-methoxyphenyl)-1-phenyl-2-thioxo-1,3,7-triazaspiro[4.4]non-8-en-4-one
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20ClN3O2S
InChI InChI=1S/C25H20ClN3O2S/c1-31-20-13-9-17(10-14-20)22-25(15-21(27-22)16-7-11-18(26)12-8-16)23(30)28-24(32)29(25)19-5-3-2-4-6-19/h2-15,22,27H,1H3,(H,28,30,32)
InChIKey VEZBOGYTEGMDDM-UHFFFAOYSA-N
Instrument Name Shimadzu Qp-2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3871
Molecular Weight 461.967 g/mol
SMILES N1C(=CC2(N(C(NC2=O)=S)c2ccccc2)C1c1ccc(cc1)OC)c1ccc(Cl)cc1
SPLASH splash10-03di-8229700000-0cae6399a9705118c12b
Source of Spectrum Y-57-SM73-(5R,6R)/(5S,6S)-11b
Wiley ID 1860104