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5-Methyl-5-[2-(5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-3-propyl-dihydro-furan-2-one
SpectraBase Compound ID 8WCqhsmS8KR
InChI InChI=1S/C18H21N3O3S/c1-3-7-13-10-18(2,24-16(13)23)14(22)11-25-17-19-15(20-21-17)12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10-11H2,1-2H3,(H,19,20,21)
InChIKey FAOPOWGLTVCABJ-UHFFFAOYSA-N
Mol Weight 359.44 g/mol
Molecular Formula C18H21N3O3S
Exact Mass 359.130363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2M2bYzwa5w
Name 5-Methyl-5-[2-(5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetyl]-3-propyl-dihydro-furan-2-one
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Formula C18H21N3O3S
InChI InChI=1S/C18H21N3O3S/c1-3-7-13-10-18(2,24-16(13)23)14(22)11-25-17-19-15(20-21-17)12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10-11H2,1-2H3,(H,19,20,21)
InChIKey FAOPOWGLTVCABJ-UHFFFAOYSA-N
Molecular Weight 359.444 g/mol
SMILES [nH]1c(nnc1-c1ccccc1)SCC(C1(OC(=O)C(C1)CCC)C)=O
SPLASH splash10-0006-9600000000-7dc989fe1bd91f8833bd
Synonyms 5-Methyl-5-[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-3-propyl-2-oxolanone 5-Methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-propyl-tetrahydrofuran-2-one 5-Methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-propyloxolan-2-one 5-Methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-3-propyl-oxolan-2-one 5-Methyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]-3-propyl-tetrahydrofuran-2-one
Wiley ID 1463828