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acetamide, 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]-N-[4-[[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl]phenyl]-

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acetamide, 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]-N-[4-[[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl]phenyl]-
SpectraBase Compound ID INpINL87qYd
InChI InChI=1S/C22H21N5O4S2/c1-13-14(2)26-31-21(13)27-33(29,30)18-8-6-17(7-9-18)24-20(28)12-32-22-16(11-23)10-15-4-3-5-19(15)25-22/h6-10,27H,3-5,12H2,1-2H3,(H,24,28)
InChIKey QQOAPLPBDHCCGK-UHFFFAOYSA-N
Mol Weight 483.56 g/mol
Molecular Formula C22H21N5O4S2
Exact Mass 483.103497 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EYBR5A6pde6
Name acetamide, 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)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 483.103496520 u
Formula C22H21N5O4S2
InChI InChI=1S/C22H21N5O4S2/c1-13-14(2)26-31-21(13)27-33(29,30)18-8-6-17(7-9-18)24-20(28)12-32-22-16(11-23)10-15-4-3-5-19(15)25-22/h6-10,27H,3-5,12H2,1-2H3,(H,24,28)
InChIKey QQOAPLPBDHCCGK-UHFFFAOYSA-N
Molecular Weight 483.561 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1697
Solvent DMSO-d6
Source Vendor ID: NMR/13268116