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1H-indole, 1,2-dimethyl-3-[1,2,3,6-tetrahydro-1-[(4-nitrophenyl)sulfonyl]-4-pyridinyl]-
SpectraBase Compound ID JhMHJVTUZsx
InChI InChI=1S/C21H21N3O4S/c1-15-21(19-5-3-4-6-20(19)22(15)2)16-11-13-23(14-12-16)29(27,28)18-9-7-17(8-10-18)24(25)26/h3-11H,12-14H2,1-2H3
InChIKey CQHPQFWDTMQJPF-UHFFFAOYSA-N
Mol Weight 411.48 g/mol
Molecular Formula C21H21N3O4S
Exact Mass 411.125277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8u4GUugZgBu
Name 1H-indole, 1,2-dimethyl-3-[1,2,3,6-tetrahydro-1-[(4-nitrophenyl)sulfonyl]-4-pyridinyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.125277338 u
Formula C21H21N3O4S
InChI InChI=1S/C21H21N3O4S/c1-15-21(19-5-3-4-6-20(19)22(15)2)16-11-13-23(14-12-16)29(27,28)18-9-7-17(8-10-18)24(25)26/h3-11H,12-14H2,1-2H3
InChIKey CQHPQFWDTMQJPF-UHFFFAOYSA-N
Molecular Weight 411.476 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6631
Solvent DMSO-d6
Source Vendor ID: NMR/12709806