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ethyl 5-{[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)amino]carbonyl}-1-methyl-1H-pyrazole-3-carboxylate
SpectraBase Compound ID LjyMCp8MYwJ
InChI InChI=1S/C16H16N4O3S/c1-3-23-16(22)11-7-12(20(2)19-11)14(21)18-15-10(8-17)9-5-4-6-13(9)24-15/h7H,3-6H2,1-2H3,(H,18,21)
InChIKey DQFQBIATIYZVSC-UHFFFAOYSA-N
Mol Weight 344.39 g/mol
Molecular Formula C16H16N4O3S
Exact Mass 344.094312 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G0xJ4LIJ6m4
Name ethyl 5-{[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)amino]carbonyl}-1-methyl-1H-pyrazole-3-carboxylate
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/C16H16N4O3S/c1-3-23-16(22)11-7-12(20(2)19-11)14(21)18-15-10(8-17)9-5-4-6-13(9)24-15/h7H,3-6H2,1-2H3,(H,18,21)
InChIKey DQFQBIATIYZVSC-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13516
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: UZI/1010396; UBI_ID: UBI-013519
Temperature 308 °C