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Methyl (2SR,4SR,5S)-5-Methyl-4-phthalimido-2-thiopyridylheptanoate
SpectraBase Compound ID C8NR3Fy65Tx
InChI InChI=1S/C22H24N2O4S/c1-4-14(2)17(24-20(25)15-9-5-6-10-16(15)21(24)26)13-18(22(27)28-3)29-19-11-7-8-12-23-19/h5-12,14,17-18H,4,13H2,1-3H3
InChIKey GVGFRBOHOVQUMR-UHFFFAOYSA-N
Mol Weight 412.5 g/mol
Molecular Formula C22H24N2O4S
Exact Mass 412.145678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHvFhcUY5z9
Name Methyl (2SR,4SR,5S)-5-Methyl-4-phthalimido-2-thiopyridylheptanoate
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Formula C22H24N2O4S
InChI InChI=1S/C22H24N2O4S/c1-4-14(2)17(24-20(25)15-9-5-6-10-16(15)21(24)26)13-18(22(27)28-3)29-19-11-7-8-12-23-19/h5-12,14,17-18H,4,13H2,1-3H3
InChIKey GVGFRBOHOVQUMR-UHFFFAOYSA-N
Molecular Weight 412.504 g/mol
SMILES C1(N(C(c2ccccc12)=O)C(CC(C(=O)OC)Sc1ncccc1)C(CC)C)=O
SPLASH splash10-0002-0910000000-140baf23878b7959a245
Source of Spectrum F-50-7043-26
Synonyms Methyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-5-methyl-2-(2-pyridinylsulfanyl)heptanoate
Wiley ID 1374413