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5-(4-Methylsulfonyl-1-piperazinyl)-2-nitro-N-(4-phenylbutan-2-yl)aniline

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5-(4-Methylsulfonyl-1-piperazinyl)-2-nitro-N-(4-phenylbutan-2-yl)aniline
SpectraBase Compound ID 6FymDt7mHgJ
InChI InChI=1S/C21H28N4O4S/c1-17(8-9-18-6-4-3-5-7-18)22-20-16-19(10-11-21(20)25(26)27)23-12-14-24(15-13-23)30(2,28)29/h3-7,10-11,16-17,22H,8-9,12-15H2,1-2H3
InChIKey MYHATGYCPPREHL-UHFFFAOYSA-N
Mol Weight 432.54 g/mol
Molecular Formula C21H28N4O4S
Exact Mass 432.183127 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HHHXXcw6YYZ
Name benzenepropanamine, alpha-methyl-N-[5-[4-(methylsulfonyl)-1-piperazinyl]-2-nitrophenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.183126568 u
Formula C21H28N4O4S
InChI InChI=1S/C21H28N4O4S/c1-17(8-9-18-6-4-3-5-7-18)22-20-16-19(10-11-21(20)25(26)27)23-12-14-24(15-13-23)30(2,28)29/h3-7,10-11,16-17,22H,8-9,12-15H2,1-2H3
InChIKey MYHATGYCPPREHL-UHFFFAOYSA-N
Molecular Weight 432.539 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7076
Solvent DMSO-d6
Source Vendor ID: NMR/10220674; Lab Info: LP; Lab Number: LP-2501148
Temperature 29.85 °C