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ethyl 4-cyano-3-methyl-5-{[4-(2-oxo-2H-chromen-3-yl)benzoyl]amino}-2-thiophenecarboxylate
SpectraBase Compound ID I8DHFlOKwk4
InChI InChI=1S/C25H18N2O5S/c1-3-31-25(30)21-14(2)19(13-26)23(33-21)27-22(28)16-10-8-15(9-11-16)18-12-17-6-4-5-7-20(17)32-24(18)29/h4-12H,3H2,1-2H3,(H,27,28)
InChIKey VUOAXNMBOZJPFJ-UHFFFAOYSA-N
Mol Weight 458.49 g/mol
Molecular Formula C25H18N2O5S
Exact Mass 458.093643 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GaKxKAKGv67
Name ethyl 4-cyano-3-methyl-5-{[4-(2-oxo-2H-chromen-3-yl)benzoyl]amino}-2-thiophenecarboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H18N2O5S/c1-3-31-25(30)21-14(2)19(13-26)23(33-21)27-22(28)16-10-8-15(9-11-16)18-12-17-6-4-5-7-20(17)32-24(18)29/h4-12H,3H2,1-2H3,(H,27,28)
InChIKey VUOAXNMBOZJPFJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8527
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: E12792; Labnumber: SPMOSE-0442; SBI_ID: SBI-008530
Temperature 318 °C