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5-[[2-[2-[(4,6-Dimethyl-2-pyrimidinyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-[[2-[2-[(4,6-Dimethyl-2-pyrimidinyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester
SpectraBase Compound ID KghDAto7rtQ
InChI InChI=1S/C22H23N5O5S/c1-4-31-21(30)17-11-23-27(16-8-6-5-7-9-16)20(17)26-18(28)12-32-19(29)13-33-22-24-14(2)10-15(3)25-22/h5-11H,4,12-13H2,1-3H3,(H,26,28)
InChIKey ZFPBYCOFVGERTP-UHFFFAOYSA-N
Mol Weight 469.52 g/mol
Molecular Formula C22H23N5O5S
Exact Mass 469.14199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IUXZN8RvRVy
Name 5-[[2-[2-[(4,6-Dimethyl-2-pyrimidinyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 469.141990030 u
Formula C22H23N5O5S
InChI InChI=1S/C22H23N5O5S/c1-4-31-21(30)17-11-23-27(16-8-6-5-7-9-16)20(17)26-18(28)12-32-19(29)13-33-22-24-14(2)10-15(3)25-22/h5-11H,4,12-13H2,1-3H3,(H,26,28)
InChIKey ZFPBYCOFVGERTP-UHFFFAOYSA-N
Molecular Weight 469.516 g/mol
SMILES C1(=C(C=NN1C=1C=CC=CC1)C(=O)OCC)NC(=O)COC(=O)CSC1=NC(C)=CC(=N1)C