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N-Acetyl-6-acetoxy-3-hydroxy-5-phenyl-2-(1-adamantylthio)pyridine
SpectraBase Compound ID IyphlWdrVyq
InChI InChI=1S/C25H31NO4S/c1-15(27)26-23(30-16(2)28)21(20-6-4-3-5-7-20)11-22(29)24(26)31-25-12-17-8-18(13-25)10-19(9-17)14-25/h3-7,11,17-19,22-24,29H,8-10,12-14H2,1-2H3
InChIKey KUUCQXBWSJEGSL-UHFFFAOYSA-N
Mol Weight 441.59 g/mol
Molecular Formula C25H31NO4S
Exact Mass 441.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43HwxpLKa42
Name N-Acetyl-6-acetoxy-3-hydroxy-5-phenyl-2-(1-adamantylthio)pyridine
Alternate Name(s) 1-Acetyl-6-(1-adamantylsulfanyl)-5-hydroxy-3-phenyl-1,2,5,6-tetrahydro-2-pyridinyl acetate N-acetyl-2-(1'-adamantylthio)-6-acetoxy-3-hydroxy-5-phenyl-1,2,3,6-tetrtahydropyridine
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Formula C25H31NO4S
InChI InChI=1S/C25H31NO4S/c1-15(27)26-23(30-16(2)28)21(20-6-4-3-5-7-20)11-22(29)24(26)31-25-12-17-8-18(13-25)10-19(9-17)14-25/h3-7,11,17-19,22-24,29H,8-10,12-14H2,1-2H3
InChIKey KUUCQXBWSJEGSL-UHFFFAOYSA-N
Molecular Weight 441.586 g/mol
SMILES OC1C=C(C(N(C1SC12CC3CC(C2)CC(C1)C3)C(=O)C)OC(=O)C)c1ccccc1
SPLASH splash10-00di-0970000000-3f13b3d52d6e2f06a81b
Source of Spectrum Y-28-1058-21
Wiley ID 1385081