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1-(1-adamantyl)-4-(4-chloranyl-3-methoxy-phenyl)sulfonyl-piperazine

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1-(1-adamantyl)-4-(4-chloranyl-3-methoxy-phenyl)sulfonyl-piperazine
SpectraBase Compound ID 3DTMiObJV0K
InChI InChI=1S/C21H29ClN2O3S/c1-27-20-11-18(2-3-19(20)22)28(25,26)24-6-4-23(5-7-24)21-12-15-8-16(13-21)10-17(9-15)14-21/h2-3,11,15-17H,4-10,12-14H2,1H3
InChIKey QNNSJDHXSIXDTL-UHFFFAOYSA-N
Mol Weight 424.99 g/mol
Molecular Formula C21H29ClN2O3S
Exact Mass 424.158742 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3TPxCQ4L9Hp
Name piperazine, 1-[(4-chloro-3-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 424.158741673 u
Formula C21H29ClN2O3S
InChI InChI=1S/C21H29ClN2O3S/c1-27-20-11-18(2-3-19(20)22)28(25,26)24-6-4-23(5-7-24)21-12-15-8-16(13-21)10-17(9-15)14-21/h2-3,11,15-17H,4-10,12-14H2,1H3
InChIKey QNNSJDHXSIXDTL-UHFFFAOYSA-N
Molecular Weight 424.987 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16805
Solvent DMSO-d6
Source Vendor ID: NMR/11260654; Lab Info: DK; Lab Number: DK-0021030