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N-Benzyl-3-phenylthio-3-[2-(methoxycarbonyl)-2-(N-methyl-N-methoxycarbonylamino)ethyl]-2-piperidone
SpectraBase Compound ID JOibBIcRkVX
InChI InChI=1S/C25H30N2O5S/c1-26(24(30)32-3)21(22(28)31-2)17-25(33-20-13-8-5-9-14-20)15-10-16-27(23(25)29)18-19-11-6-4-7-12-19/h4-9,11-14,21H,10,15-18H2,1-3H3
InChIKey XYFYDUDIRHUKDF-UHFFFAOYSA-N
Mol Weight 470.58 g/mol
Molecular Formula C25H30N2O5S
Exact Mass 470.187543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrlZnsAllKC
Name N-Benzyl-3-phenylthio-3-[2-(methoxycarbonyl)-2-(N-methyl-N-methoxycarbonylamino)ethyl]-2-piperidone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30N2O5S
InChI InChI=1S/C25H30N2O5S/c1-26(24(30)32-3)21(22(28)31-2)17-25(33-20-13-8-5-9-14-20)15-10-16-27(23(25)29)18-19-11-6-4-7-12-19/h4-9,11-14,21H,10,15-18H2,1-3H3
InChIKey XYFYDUDIRHUKDF-UHFFFAOYSA-N
Molecular Weight 470.584 g/mol
SMILES C1(C(N(Cc2ccccc2)CCC1)=O)(CC(N(C(=O)OC)C)C(=O)OC)Sc1ccccc1
SPLASH splash10-01ot-0095000000-307d3dd11eb2ab1372a3
Source of Spectrum H1-35-1167-8
Synonyms Methyl 3-[1-benzyl-2-oxo-3-(phenylsulfanyl)-3-piperidinyl]-2-[(methoxycarbonyl)(methyl)amino]propanoate
Wiley ID 754997