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methyl 5-(aminocarbonyl)-4-methyl-2-({[1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl}amino)-3-thiophenecarboxylate
SpectraBase Compound ID 6k6tS42mfnm
InChI InChI=1S/C16H13F3N4O4S2/c1-5-8(15(26)27-3)13(29-9(5)11(20)24)21-12(25)7-4-6-10(16(17,18)19)22-23(2)14(6)28-7/h4H,1-3H3,(H2,20,24)(H,21,25)
InChIKey NIAHYWCGRIQKSS-UHFFFAOYSA-N
Mol Weight 446.42 g/mol
Molecular Formula C16H13F3N4O4S2
Exact Mass 446.033032 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KWipNg1HUBV
Name methyl 5-(aminocarbonyl)-4-methyl-2-({[1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl}amino)-3-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/C16H13F3N4O4S2/c1-5-8(15(26)27-3)13(29-9(5)11(20)24)21-12(25)7-4-6-10(16(17,18)19)22-23(2)14(6)28-7/h4H,1-3H3,(H2,20,24)(H,21,25)
InChIKey NIAHYWCGRIQKSS-UHFFFAOYSA-N
NMR Offset 15.3209
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34023
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: 1998296; SBI_ID: SBI-034027
Temperature 297 °C