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5-(3'-Methyl-5'-styrylisoxazol-4'-yl)-3-phenyl-1-ethyl-2-thione-hexahydro-1,3,5-triazine
SpectraBase Compound ID JJ6na2ADRYP
InChI InChI=1S/C23H24N4OS/c1-3-25-16-26(17-27(23(25)29)20-12-8-5-9-13-20)22-18(2)24-28-21(22)15-14-19-10-6-4-7-11-19/h4-15H,3,16-17H2,1-2H3/b15-14+
InChIKey UIGIQWXCQADHNC-CCEZHUSRSA-N
Mol Weight 404.53 g/mol
Molecular Formula C23H24N4OS
Exact Mass 404.167083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUweJFAXOg8
Name 5-(3'-Methyl-5'-styrylisoxazol-4'-yl)-3-phenyl-1-ethyl-2-thione-hexahydro-1,3,5-triazine
Comments Less than 3 mono-isotopic peaks
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Formula C23H24N4OS
InChI InChI=1S/C23H24N4OS/c1-3-25-16-26(17-27(23(25)29)20-12-8-5-9-13-20)22-18(2)24-28-21(22)15-14-19-10-6-4-7-11-19/h4-15H,3,16-17H2,1-2H3/b15-14+
InChIKey UIGIQWXCQADHNC-CCEZHUSRSA-N
Molecular Weight 404.532 g/mol
SMILES C1(N(CN(CN1CC)c1c(onc1C)\C=C\c1ccccc1)c1ccccc1)=S
SPLASH splash10-001i-0900100000-71a172fc7bda9956d272
Source of Spectrum AJ-42-714-3
Synonyms 1-(3'-Methyl-5'-styrylisoxazol-4'-yl)-3-phenyl-5-ethyl-hexahydro-1,3,5-triazine 1-ethyl-5-{3-methyl-5-[(E)-2-phenylethenyl]-4-isoxazolyl}-3-phenyltetrahydro-1,3,5-triazine-2(1H)-thione
Wiley ID 1567924