1-[3-(4-chlorophenyl)sulfonyl-2,5-dimethyl-phenyl]sulfonylisonipecotic acid

SpectraBase Compound ID	B5p8gljt1Hs
InChI	InChI=1S/C20H22ClNO6S2/c1-13-11-18(29(25,26)17-5-3-16(21)4-6-17)14(2)19(12-13)30(27,28)22-9-7-15(8-10-22)20(23)24/h3-6,11-12,15H,7-10H2,1-2H3,(H,23,24)
InChIKey	AVLKZZXTUYLJCS-UHFFFAOYSA-N Google Search
Mol Weight	471.97 g/mol
Molecular Formula	C20H22ClNO6S2
Exact Mass	471.057707 g/mol

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SpectraBase Spectrum ID	DKyiRUa27vv
Name	4-piperidinecarboxylic acid, 1-[[3-[(4-chlorophenyl)sulfonyl]-2,5-dimethylphenyl]sulfonyl]-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	471.057707474 u
Formula	C20H22ClNO6S2
InChI	InChI=1S/C20H22ClNO6S2/c1-13-11-18(29(25,26)17-5-3-16(21)4-6-17)14(2)19(12-13)30(27,28)22-9-7-15(8-10-22)20(23)24/h3-6,11-12,15H,7-10H2,1-2H3,(H,23,24)
InChIKey	AVLKZZXTUYLJCS-UHFFFAOYSA-N
Molecular Weight	471.970 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_11759
Solvent	DMSO-d6
Source	Vendor ID: NMR/10271561; Lab Info: SP; Lab Number: SP-X000463