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benzoic acid, 4-[6-amino-5-cyano-3-(1,1-dimethylethyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-, methyl ester
SpectraBase Compound ID 4xajdERk4ni
InChI InChI=1S/C19H20N4O3/c1-19(2,3)15-14-13(10-5-7-11(8-6-10)18(24)25-4)12(9-20)16(21)26-17(14)23-22-15/h5-8,13H,21H2,1-4H3,(H,22,23)
InChIKey OKPREUAJSKLLKS-UHFFFAOYSA-N
Mol Weight 352.39 g/mol
Molecular Formula C19H20N4O3
Exact Mass 352.153541 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4T6etHm5lnH
Name benzoic acid, 4-[6-amino-5-cyano-3-(1,1-dimethylethyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.153540517 u
Formula C19H20N4O3
InChI InChI=1S/C19H20N4O3/c1-19(2,3)15-14-13(10-5-7-11(8-6-10)18(24)25-4)12(9-20)16(21)26-17(14)23-22-15/h5-8,13H,21H2,1-4H3,(H,22,23)
InChIKey OKPREUAJSKLLKS-UHFFFAOYSA-N
Molecular Weight 352.394 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5095
Solvent DMSO-d6
Source Vendor ID: NMR/9301891; Lab Info: VUR; Lab Number: VUR-0000644