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1-methyl-3,7-bis[(4-methylphenyl)sulfonyl]-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one

View entire compound with spectra: 1 NMR

1-methyl-3,7-bis[(4-methylphenyl)sulfonyl]-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one
SpectraBase Compound ID GLZZOoABakY
InChI InChI=1S/C25H32N2O5S2/c1-5-14-25-17-26(33(29,30)21-10-6-19(2)7-11-21)15-24(4,23(25)28)16-27(18-25)34(31,32)22-12-8-20(3)9-13-22/h6-13H,5,14-18H2,1-4H3/t24-,25+
InChIKey MCJWWHPFVHYDNR-PLQXJYEYSA-N
Mol Weight 504.7 g/mol
Molecular Formula C25H32N2O5S2
Exact Mass 504.175264 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LXnN8TDrgFR
Name 1-methyl-3,7-bis[(4-methylphenyl)sulfonyl]-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H32N2O5S2/c1-5-14-25-17-26(33(29,30)21-10-6-19(2)7-11-21)15-24(4,23(25)28)16-27(18-25)34(31,32)22-12-8-20(3)9-13-22/h6-13H,5,14-18H2,1-4H3/t24-,25+
InChIKey MCJWWHPFVHYDNR-PLQXJYEYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1020
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: C94926; Labnumber: AENIC71-0031; SBI_ID: SBI-001022
Temperature 308 °C