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4-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-5-methyl-2,1,3-benzothiadiazole

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4-[4-(1-adamantyl)piperazin-1-yl]sulfonyl-5-methyl-2,1,3-benzothiadiazole
SpectraBase Compound ID 8FBDS4GZ2Fy
InChI InChI=1S/C21H28N4O2S2/c1-14-2-3-18-19(23-28-22-18)20(14)29(26,27)25-6-4-24(5-7-25)21-11-15-8-16(12-21)10-17(9-15)13-21/h2-3,15-17H,4-13H2,1H3/t15-,16+,17-,21-
InChIKey ZYMOPYQZMQNHRK-YFHKMKNMSA-N
Mol Weight 432.6 g/mol
Molecular Formula C21H28N4O2S2
Exact Mass 432.165369 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID VEPniLkZy8
Name 2,1,3-benzothiadiazole, 5-methyl-4-[(4-tricyclo[3.3.1.1~3,7~]dec-1-yl-1-piperazinyl)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 432.165368504 u
Formula C21H28N4O2S2
InChI InChI=1S/C21H28N4O2S2/c1-14-2-3-18-19(23-28-22-18)20(14)29(26,27)25-6-4-24(5-7-25)21-11-15-8-16(12-21)10-17(9-15)13-21/h2-3,15-17H,4-13H2,1H3/t15-,16+,17-,21-
InChIKey ZYMOPYQZMQNHRK-YFHKMKNMSA-N
Molecular Weight 432.601 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15252
Solvent DMSO-d6
Source Vendor ID: NMR/11230199; Lab Info: DS; Lab Number: DS-z001290