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benzoic acid, 4-[6-amino-3-(5-chloro-2-thienyl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-, methyl ester
SpectraBase Compound ID CWtH8dCWAeJ
InChI InChI=1S/C19H13ClN4O3S/c1-26-19(25)10-4-2-9(3-5-10)14-11(8-21)17(22)27-18-15(14)16(23-24-18)12-6-7-13(20)28-12/h2-7,14H,22H2,1H3,(H,23,24)
InChIKey NSKLYFQNEZAPKD-UHFFFAOYSA-N
Mol Weight 412.85 g/mol
Molecular Formula C19H13ClN4O3S
Exact Mass 412.039689 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6QPE7uoMn0p
Name benzoic acid, 4-[6-amino-3-(5-chloro-2-thienyl)-5-cyano-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 412.039689166 u
Formula C19H13ClN4O3S
InChI InChI=1S/C19H13ClN4O3S/c1-26-19(25)10-4-2-9(3-5-10)14-11(8-21)17(22)27-18-15(14)16(23-24-18)12-6-7-13(20)28-12/h2-7,14H,22H2,1H3,(H,23,24)
InChIKey NSKLYFQNEZAPKD-UHFFFAOYSA-N
Molecular Weight 412.851 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15765
Solvent DMSO-d6
Source Vendor ID: NMR/11240698; Lab Info: VUR; Lab Number: VUR-0103037