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1,5-dimethyl-3,7-bis(phenylsulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-ol
SpectraBase Compound ID 95rgsPusxXq
InChI InChI=1S/C21H26N2O5S2/c1-20-13-22(29(25,26)17-9-5-3-6-10-17)15-21(2,19(20)24)16-23(14-20)30(27,28)18-11-7-4-8-12-18/h3-12,19,24H,13-16H2,1-2H3/t19-,20-,21+
InChIKey PWHZNZFMILBUQO-MZADTFQBSA-N
Mol Weight 450.57 g/mol
Molecular Formula C21H26N2O5S2
Exact Mass 450.128314 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7gCCFrddrqJ
Name 1,5-dimethyl-3,7-bis(phenylsulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-ol
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.128314288 u
Formula C21H26N2O5S2
InChI InChI=1S/C21H26N2O5S2/c1-20-13-22(29(25,26)17-9-5-3-6-10-17)15-21(2,19(20)24)16-23(14-20)30(27,28)18-11-7-4-8-12-18/h3-12,19,24H,13-16H2,1-2H3/t19-,20-,21+
InChIKey PWHZNZFMILBUQO-MZADTFQBSA-N
Molecular Weight 450.568 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3685
Solvent DMSO-d6
Source Vendor ID: NMR/12308039