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1,4-dimethyl 2-(2-{[1,4'-bipiperidin]-1'-yl}-2-sulfanylideneethyl)benzene-1,4-dicarboxylate
SpectraBase Compound ID BSoKMX9mT27
InChI InChI=1S/C21H29N3O4S/c1-27-19(25)15-6-7-17(20(26)28-2)18(14-15)22-21(29)24-12-8-16(9-13-24)23-10-4-3-5-11-23/h6-7,14,16H,3-5,8-13H2,1-2H3,(H,22,29)
InChIKey AYTMKYBSKAJECD-UHFFFAOYSA-N
Mol Weight 419.54 g/mol
Molecular Formula C21H29N3O4S
Exact Mass 419.187878 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HqpOcC0OiC2
Name 1,4-dimethyl 2-(2-{[1,4'-bipiperidin]-1'-yl}-2-sulfanylideneethyl)benzene-1,4-dicarboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.187877596 u
Formula C21H29N3O4S
InChI InChI=1S/C21H29N3O4S/c1-27-19(25)15-6-7-17(20(26)28-2)18(14-15)22-21(29)24-12-8-16(9-13-24)23-10-4-3-5-11-23/h6-7,14,16H,3-5,8-13H2,1-2H3,(H,22,29)
InChIKey AYTMKYBSKAJECD-UHFFFAOYSA-N
Molecular Weight 419.540 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_816
Solvent DMSO-d6
Source Vendor ID: NMR/13239251