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benzenemethanamine, 4-(1-methylethyl)-N-[2-nitro-5-[4-(phenylsulfonyl)-1-piperazinyl]phenyl]-
SpectraBase Compound ID 7SIYvsN8F0d
InChI InChI=1S/C26H30N4O4S/c1-20(2)22-10-8-21(9-11-22)19-27-25-18-23(12-13-26(25)30(31)32)28-14-16-29(17-15-28)35(33,34)24-6-4-3-5-7-24/h3-13,18,20,27H,14-17,19H2,1-2H3
InChIKey MOAKDGUXXBPKHE-UHFFFAOYSA-N
Mol Weight 494.61 g/mol
Molecular Formula C26H30N4O4S
Exact Mass 494.198777 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hr44HU1Y55F
Name benzenemethanamine, 4-(1-methylethyl)-N-[2-nitro-5-[4-(phenylsulfonyl)-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 494.198776632 u
Formula C26H30N4O4S
InChI InChI=1S/C26H30N4O4S/c1-20(2)22-10-8-21(9-11-22)19-27-25-18-23(12-13-26(25)30(31)32)28-14-16-29(17-15-28)35(33,34)24-6-4-3-5-7-24/h3-13,18,20,27H,14-17,19H2,1-2H3
InChIKey MOAKDGUXXBPKHE-UHFFFAOYSA-N
Molecular Weight 494.610 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7075
Solvent DMSO-d6
Source Vendor ID: NMR/10220673; Lab Info: LP; Lab Number: LP-2501147
Temperature 29.85 °C