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1-(2-Oxo-1-propyl-3-piperidyl)-4-(1-phenylsulfonyl-2-pyrrolyl)-1,3-butanedione 3-trimethylene acetal
SpectraBase Compound ID AT3hAEUw6Fr
InChI InChI=1S/C25H32N2O6S/c1-2-13-26-14-7-12-22(24(26)29)23(28)19-25(32-16-8-17-33-25)18-20-9-6-15-27(20)34(30,31)21-10-4-3-5-11-21/h3-6,9-11,15,22H,2,7-8,12-14,16-19H2,1H3
InChIKey MJIAOQLGWFBGLV-UHFFFAOYSA-N
Mol Weight 488.6 g/mol
Molecular Formula C25H32N2O6S
Exact Mass 488.198108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbrjiLxzuxo
Name 1-(2-Oxo-1-propyl-3-piperidyl)-4-(1-phenylsulfonyl-2-pyrrolyl)-1,3-butanedione 3-trimethylene acetal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32N2O6S
InChI InChI=1S/C25H32N2O6S/c1-2-13-26-14-7-12-22(24(26)29)23(28)19-25(32-16-8-17-33-25)18-20-9-6-15-27(20)34(30,31)21-10-4-3-5-11-21/h3-6,9-11,15,22H,2,7-8,12-14,16-19H2,1H3
InChIKey MJIAOQLGWFBGLV-UHFFFAOYSA-N
Molecular Weight 488.599 g/mol
SMILES c1([n](S(=O)(=O)c2ccccc2)ccc1)CC1(CC(C2C(N(CCC)CCC2)=O)=O)OCCCO1
SPLASH splash10-00or-2902000000-6ef1c351533f8e001b7e
Source of Spectrum E1-40-2351-41
Synonyms 3-[2-[2-[[1-(benzenesulfonyl)-2-pyrrolyl]methyl]-1,3-dioxan-2-yl]-1-oxoethyl]-1-propyl-2-piperidinone 3-[2-[2-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1,3-dioxan-2-yl]acetyl]-1-propylpiperidin-2-one 3-[2-[2-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-1,3-dioxan-2-yl]acetyl]-1-propyl-piperidin-2-one 3-[2-[2-[[1-(phenylsulfonyl)pyrrol-2-yl]methyl]-1,3-dioxan-2-yl]ethanoyl]-1-propyl-piperidin-2-one
Wiley ID 1519745