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3-(1-Methyl-2-pyrrolidinyl)-1-[(2,4,5-trichlorophenyl)sulfonyl]piperidine

View entire compound with spectra: 2 NMR, and 1 FTIR

3-(1-Methyl-2-pyrrolidinyl)-1-[(2,4,5-trichlorophenyl)sulfonyl]piperidine
SpectraBase Compound ID cHrrtSjY5f
InChI InChI=1S/C16H21Cl3N2O2S/c1-20-6-3-5-15(20)11-4-2-7-21(10-11)24(22,23)16-9-13(18)12(17)8-14(16)19/h8-9,11,15H,2-7,10H2,1H3
InChIKey JSAZPYASYAAXTK-UHFFFAOYSA-N
Mol Weight 411.78 g/mol
Molecular Formula C16H21Cl3N2O2S
Exact Mass 410.038932 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5RevCZsv2ZK
Name 3-(1-Methyl-2-pyrrolidinyl)-1-[(2,4,5-trichlorophenyl)sulfonyl]piperidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.038932196 u
Formula C16H21Cl3N2O2S
InChI InChI=1S/C16H21Cl3N2O2S/c1-20-6-3-5-15(20)11-4-2-7-21(10-11)24(22,23)16-9-13(18)12(17)8-14(16)19/h8-9,11,15H,2-7,10H2,1H3
InChIKey JSAZPYASYAAXTK-UHFFFAOYSA-N
Molecular Weight 411.775 g/mol
SMILES C1CN(CC(C1)C1N(CCC1)C)S(=O)(=O)C=1C=C(C(=CC1Cl)Cl)Cl