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2-thiophenecarboxylic acid, 4-(6-amino-5-cyano-1,4-dihydro-3-propylpyrano[2,3-c]pyrazol-4-yl)phenyl ester
SpectraBase Compound ID EBFoa5WZK5k
InChI InChI=1S/C21H18N4O3S/c1-2-4-15-18-17(14(11-22)19(23)28-20(18)25-24-15)12-6-8-13(9-7-12)27-21(26)16-5-3-10-29-16/h3,5-10,17H,2,4,23H2,1H3,(H,24,25)
InChIKey NXIYDAUPDDBBND-UHFFFAOYSA-N
Mol Weight 406.46 g/mol
Molecular Formula C21H18N4O3S
Exact Mass 406.109962 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ARmFb1uizxj
Name 2-thiophenecarboxylic acid, 4-(6-amino-5-cyano-1,4-dihydro-3-propylpyrano[2,3-c]pyrazol-4-yl)phenyl 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 406.109961627 u
Formula C21H18N4O3S
InChI InChI=1S/C21H18N4O3S/c1-2-4-15-18-17(14(11-22)19(23)28-20(18)25-24-15)12-6-8-13(9-7-12)27-21(26)16-5-3-10-29-16/h3,5-10,17H,2,4,23H2,1H3,(H,24,25)
InChIKey NXIYDAUPDDBBND-UHFFFAOYSA-N
Molecular Weight 406.460 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7670
Solvent DMSO-d6
Source Vendor ID: NMR/9313509; Lab Info: VUR; Lab Number: VUR-0000906
Temperature 29.85 °C