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N-(4-{[4-(3-{[1-(1-adamantyl)ethyl]amino}-4-nitrophenyl)-1-piperazinyl]sulfonyl}phenyl)acetamide
SpectraBase Compound ID 49BcAkzH1D1
InChI InChI=1S/C30H39N5O5S/c1-20(30-17-22-13-23(18-30)15-24(14-22)19-30)31-28-16-26(5-8-29(28)35(37)38)33-9-11-34(12-10-33)41(39,40)27-6-3-25(4-7-27)32-21(2)36/h3-8,16,20,22-24,31H,9-15,17-19H2,1-2H3,(H,32,36)/t20?,22-,23+,24-,30-
InChIKey ORKIHRWQYUITAZ-RSAJZJDMSA-N
Mol Weight 581.7 g/mol
Molecular Formula C30H39N5O5S
Exact Mass 581.267191 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1JOvzosYBSo
Name N-(4-{[4-(3-{[1-(1-adamantyl)ethyl]amino}-4-nitrophenyl)-1-piperazinyl]sulfonyl}phenyl)acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C30H39N5O5S/c1-20(30-17-22-13-23(18-30)15-24(14-22)19-30)31-28-16-26(5-8-29(28)35(37)38)33-9-11-34(12-10-33)41(39,40)27-6-3-25(4-7-27)32-21(2)36/h3-8,16,20,22-24,31H,9-15,17-19H2,1-2H3,(H,32,36)/t20?,22-,23+,24-,30-
InChIKey ORKIHRWQYUITAZ-RSAJZJDMSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5926
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11241388; Labnumber: LP-2501839; IOH_ID: IOH-005927