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1H-1,4-diazepine, 1,4-bis[(3,4-dimethylphenyl)sulfonyl]hexahydro-
SpectraBase Compound ID 8J0g84SPEqC
InChI InChI=1S/C21H28N2O4S2/c1-16-6-8-20(14-18(16)3)28(24,25)22-10-5-11-23(13-12-22)29(26,27)21-9-7-17(2)19(4)15-21/h6-9,14-15H,5,10-13H2,1-4H3
InChIKey PVFTXYAAOYNZQD-UHFFFAOYSA-N
Mol Weight 436.59 g/mol
Molecular Formula C21H28N2O4S2
Exact Mass 436.14905 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3UbrvyhvKXL
Name 1H-1,4-diazepine, 1,4-bis[(3,4-dimethylphenyl)sulfonyl]hexahydro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.149049734 u
Formula C21H28N2O4S2
InChI InChI=1S/C21H28N2O4S2/c1-16-6-8-20(14-18(16)3)28(24,25)22-10-5-11-23(13-12-22)29(26,27)21-9-7-17(2)19(4)15-21/h6-9,14-15H,5,10-13H2,1-4H3
InChIKey PVFTXYAAOYNZQD-UHFFFAOYSA-N
Molecular Weight 436.585 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12782
Solvent DMSO-d6
Source Vendor ID: ZI/10011913; Lab Info: DK; Lab Number: DK-1600257