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benzenemethanamine, 4-chloro-N-[2-nitro-5-[4-[(phenylmethyl)sulfonyl]-1-piperazinyl]phenyl]-
SpectraBase Compound ID AokhpcRYfA3
InChI InChI=1S/C24H25ClN4O4S/c25-21-8-6-19(7-9-21)17-26-23-16-22(10-11-24(23)29(30)31)27-12-14-28(15-13-27)34(32,33)18-20-4-2-1-3-5-20/h1-11,16,26H,12-15,17-18H2
InChIKey ROSGHXWCZTWGPS-UHFFFAOYSA-N
Mol Weight 501.0 g/mol
Molecular Formula C24H25ClN4O4S
Exact Mass 500.128504 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H6wofbYkvHD
Name benzenemethanamine, 4-chloro-N-[2-nitro-5-[4-[(phenylmethyl)sulfonyl]-1-piperazinyl]phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.128504171 u
Formula C24H25ClN4O4S
InChI InChI=1S/C24H25ClN4O4S/c25-21-8-6-19(7-9-21)17-26-23-16-22(10-11-24(23)29(30)31)27-12-14-28(15-13-27)34(32,33)18-20-4-2-1-3-5-20/h1-11,16,26H,12-15,17-18H2
InChIKey ROSGHXWCZTWGPS-UHFFFAOYSA-N
Molecular Weight 501.001 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11049
Solvent DMSO-d6
Source Vendor ID: NMR/10251277; Lab Info: LP; Lab Number: LP-2501345
Temperature 29.85 °C