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acetamide, 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-[4-[[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl]phenyl]-
SpectraBase Compound ID GCLuG2sSFoT
InChI InChI=1S/C21H21N5O4S2/c1-12-9-13(2)23-21(18(12)10-22)31-11-19(27)24-16-5-7-17(8-6-16)32(28,29)26-20-14(3)15(4)25-30-20/h5-9,26H,11H2,1-4H3,(H,24,27)
InChIKey ATWALYBYFPQVAQ-UHFFFAOYSA-N
Mol Weight 471.55 g/mol
Molecular Formula C21H21N5O4S2
Exact Mass 471.103497 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2UaOMHLM915
Name acetamide, 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-[4-[[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl]phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 471.103496520 u
Formula C21H21N5O4S2
InChI InChI=1S/C21H21N5O4S2/c1-12-9-13(2)23-21(18(12)10-22)31-11-19(27)24-16-5-7-17(8-6-16)32(28,29)26-20-14(3)15(4)25-30-20/h5-9,26H,11H2,1-4H3,(H,24,27)
InChIKey ATWALYBYFPQVAQ-UHFFFAOYSA-N
Molecular Weight 471.550 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1695
Solvent DMSO-d6
Source Vendor ID: NMR/13268114