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4-(2-(1-(2-(methylthio)propanoyl)piperidin-2-yl)-1H-imidazol-5-yl)benzaldehyde
SpectraBase Compound ID 8Zy3S6HXudm
InChI InChI=1S/C19H23N3O2S/c1-13(25-2)19(24)22-10-4-3-5-17(22)18-20-11-16(21-18)15-8-6-14(12-23)7-9-15/h6-9,11-13,17H,3-5,10H2,1-2H3,(H,20,21)
InChIKey YMFZGGPPDIPCSI-UHFFFAOYSA-N
Mol Weight 357.47 g/mol
Molecular Formula C19H23N3O2S
Exact Mass 357.151098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtWfmlyRDwD
Name 4-(2-(1-(2-(methylthio)propanoyl)piperidin-2-yl)-1H-imidazol-5-yl)benzaldehyde
Appearance White solid
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Formula C19H23N3O2S
InChI InChI=1S/C19H23N3O2S/c1-13(25-2)19(24)22-10-4-3-5-17(22)18-20-11-16(21-18)15-8-6-14(12-23)7-9-15/h6-9,11-13,17H,3-5,10H2,1-2H3,(H,20,21)
InChIKey YMFZGGPPDIPCSI-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 357.472 g/mol
SMILES [nH]1c(cnc1C1N(C(C(SC)C)=O)CCCC1)-c1ccc(cc1)C=O
SPLASH splash10-0udi-0191000000-4f4239dc79e60cbc8ecc
Source of Spectrum WO2021074281A1
Wiley ID 1880054