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2-(1-Ethoxycarbonyl-2,2,2-trifluoro-1-pentanoylamino-ethylamino)-benzothiazole-6-carboxylic acid ethyl ester
SpectraBase Compound ID 145nDUoOoTb
InChI InChI=1S/C20H24F3N3O5S/c1-4-7-8-15(27)25-19(20(21,22)23,17(29)31-6-3)26-18-24-13-10-9-12(11-14(13)32-18)16(28)30-5-2/h9-11H,4-8H2,1-3H3,(H,24,26)(H,25,27)
InChIKey JMKHHZILIIVGHO-UHFFFAOYSA-N
Mol Weight 475.48 g/mol
Molecular Formula C20H24F3N3O5S
Exact Mass 475.138877 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DpfL70h6EMo
Name ethyl 2-{[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-(pentanoylamino)ethyl]amino}-1,3-benzothiazole-6-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/C20H24F3N3O5S/c1-4-7-8-15(27)25-19(20(21,22)23,17(29)31-6-3)26-18-24-13-10-9-12(11-14(13)32-18)16(28)30-5-2/h9-11H,4-8H2,1-3H3,(H,24,26)(H,25,27)
InChIKey JMKHHZILIIVGHO-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_452
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: C27163; Labnumber: SOK-1089; SBI_ID: SBI-000454
Temperature 308 °C