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3-piperidinecarboxamide, 1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-4-isoxazolyl]sulfonyl]-N-(3,4-dimethylphenyl)-
SpectraBase Compound ID Ddp632RrvyI
InChI InChI=1S/C22H30N4O4S/c1-15-8-9-19(13-16(15)2)23-22(27)18-7-6-11-26(14-18)31(28,29)21-17(3)24-30-20(21)10-12-25(4)5/h8-10,12-13,18H,6-7,11,14H2,1-5H3,(H,23,27)/b12-10+
InChIKey HQPHGRNBCXHSTK-ZRDIBKRKSA-N
Mol Weight 446.57 g/mol
Molecular Formula C22H30N4O4S
Exact Mass 446.198777 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6YSXqfNMwvc
Name 3-piperidinecarboxamide, 1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-4-isoxazolyl]sulfonyl]-N-(3,4-dimethylphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.198776632 u
Formula C22H30N4O4S
InChI InChI=1S/C22H30N4O4S/c1-15-8-9-19(13-16(15)2)23-22(27)18-7-6-11-26(14-18)31(28,29)21-17(3)24-30-20(21)10-12-25(4)5/h8-10,12-13,18H,6-7,11,14H2,1-5H3,(H,23,27)/b12-10+
InChIKey HQPHGRNBCXHSTK-ZRDIBKRKSA-N
Molecular Weight 446.566 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4688
Solvent DMSO-d6
Source Vendor ID: NMR/13288337