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ethyl 5-({[3-(ethoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-3-carboxylate
SpectraBase Compound ID LFibkedygju
InChI InChI=1S/C18H21N3O5S/c1-4-25-17(23)11-9-12(21(3)20-11)15(22)19-16-14(18(24)26-5-2)10-7-6-8-13(10)27-16/h9H,4-8H2,1-3H3,(H,19,22)
InChIKey IFCNAVOUMAJCCW-UHFFFAOYSA-N
Mol Weight 391.44 g/mol
Molecular Formula C18H21N3O5S
Exact Mass 391.120192 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2JXmo4IWIlF
Name ethyl 5-({[3-(ethoxycarbonyl)-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/C18H21N3O5S/c1-4-25-17(23)11-9-12(21(3)20-11)15(22)19-16-14(18(24)26-5-2)10-7-6-8-13(10)27-16/h9H,4-8H2,1-3H3,(H,19,22)
InChIKey IFCNAVOUMAJCCW-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13477
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/1010274; UBI_ID: UBI-013480
Temperature 308 °C