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6-Methyl-2-(4-nitrophenyl)-5-phenylthio-2,3-dihydro-4-pyrone
SpectraBase Compound ID 9L0mP4cF565
InChI InChI=1S/C18H15NO4S/c1-12-18(24-15-5-3-2-4-6-15)16(20)11-17(23-12)13-7-9-14(10-8-13)19(21)22/h2-10,17H,11H2,1H3
InChIKey MXHXBFWTPBAOCT-UHFFFAOYSA-N
Mol Weight 341.38 g/mol
Molecular Formula C18H15NO4S
Exact Mass 341.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYzusrNOtYw
Name 6-Methyl-2-(4-nitrophenyl)-5-phenylthio-2,3-dihydro-4-pyrone
Alternate Name(s) 6-Methyl-2-(4-nitrophenyl)-5-(phenylsulfanyl)-2,3-dihydro-4H-pyran-4-one 6-Methyl-2-(4-nitrophenyl)-5-phenylsulfanyl-2,3-dihydropyran-4-one
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Formula C18H15NO4S
InChI InChI=1S/C18H15NO4S/c1-12-18(24-15-5-3-2-4-6-15)16(20)11-17(23-12)13-7-9-14(10-8-13)19(21)22/h2-10,17H,11H2,1H3
InChIKey MXHXBFWTPBAOCT-UHFFFAOYSA-N
Molecular Weight 341.381 g/mol
SMILES C1(CC(C(=C(O1)C)Sc1ccccc1)=O)c1ccc(cc1)N(=O)=O
SPLASH splash10-002f-9000000000-e3608dcdff5bfd4493c6
Source of Spectrum E1-38-332-4
Wiley ID 1518157