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3-pyridinecarboxamide, 5-cyano-4-(2-furanyl)-1,4-dihydro-2-methyl-N-(2-methylphenyl)-6-[[2-(2-naphthalenylamino)-2-oxoethyl]thio]-
SpectraBase Compound ID 6hsV2RBJmSs
InChI InChI=1S/C31H26N4O3S/c1-19-8-3-6-11-25(19)35-30(37)28-20(2)33-31(24(17-32)29(28)26-12-7-15-38-26)39-18-27(36)34-23-14-13-21-9-4-5-10-22(21)16-23/h3-16,29,33H,18H2,1-2H3,(H,34,36)(H,35,37)
InChIKey LKXBNWKYWINQNN-UHFFFAOYSA-N
Mol Weight 534.63 g/mol
Molecular Formula C31H26N4O3S
Exact Mass 534.172562 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HO4Y7GqALfU
Name 3-pyridinecarboxamide, 5-cyano-4-(2-furanyl)-1,4-dihydro-2-methyl-N-(2-methylphenyl)-6-[[2-(2-naphthalenylamino)-2-oxoethyl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 534.172561884 u
Formula C31H26N4O3S
InChI InChI=1S/C31H26N4O3S/c1-19-8-3-6-11-25(19)35-30(37)28-20(2)33-31(24(17-32)29(28)26-12-7-15-38-26)39-18-27(36)34-23-14-13-21-9-4-5-10-22(21)16-23/h3-16,29,33H,18H2,1-2H3,(H,34,36)(H,35,37)
InChIKey LKXBNWKYWINQNN-UHFFFAOYSA-N
Molecular Weight 534.634 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10570
Solvent DMSO-d6
Source Vendor ID: NMR/10251873; Lab Info: KR; Lab Number: KR-KV00272