1-(1-adamantyl)-4-[3,4-bis(chloranyl)-2-methoxy-phenyl]sulfonyl-piperazine

SpectraBase Compound ID	KVEujTqpXRG
InChI	InChI=1S/C21H28Cl2N2O3S/c1-28-20-18(3-2-17(22)19(20)23)29(26,27)25-6-4-24(5-7-25)21-11-14-8-15(12-21)10-16(9-14)13-21/h2-3,14-16H,4-13H2,1H3
InChIKey	CEDDWCCWBYMPIG-UHFFFAOYSA-N Google Search
Mol Weight	459.43 g/mol
Molecular Formula	C21H28Cl2N2O3S
Exact Mass	458.119769 g/mol

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SpectraBase Spectrum ID	5bayzANuVQ9
Name	piperazine, 1-[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-4-tricyclo[3.3.1.1~3,7~]dec-1-yl-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	458.119769341 u
Formula	C21H28Cl2N2O3S
InChI	InChI=1S/C21H28Cl2N2O3S/c1-28-20-18(3-2-17(22)19(20)23)29(26,27)25-6-4-24(5-7-25)21-11-14-8-15(12-21)10-16(9-14)13-21/h2-3,14-16H,4-13H2,1H3
InChIKey	CEDDWCCWBYMPIG-UHFFFAOYSA-N
Molecular Weight	459.432 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_16806
Solvent	DMSO-d6
Source	Vendor ID: NMR/11260655; Lab Info: DK; Lab Number: DK-0021031