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3,3,3-Trifluoro-2-(6-fluoro-benzothiazol-2-ylamino)-2-pentanoylamino-propionic acid ethyl ester

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3,3,3-Trifluoro-2-(6-fluoro-benzothiazol-2-ylamino)-2-pentanoylamino-propionic acid ethyl ester
SpectraBase Compound ID 5BOA1mXPaE6
InChI InChI=1S/C17H19F4N3O3S/c1-3-5-6-13(25)23-16(17(19,20)21,14(26)27-4-2)24-15-22-11-8-7-10(18)9-12(11)28-15/h7-9H,3-6H2,1-2H3,(H,22,24)(H,23,25)
InChIKey LXCHKJVKUPIUAL-UHFFFAOYSA-N
Mol Weight 421.41 g/mol
Molecular Formula C17H19F4N3O3S
Exact Mass 421.108325 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3R5hPjHQRYu
Name ethyl 3,3,3-trifluoro-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-(pentanoylamino)propanoate
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/C17H19F4N3O3S/c1-3-5-6-13(25)23-16(17(19,20)21,14(26)27-4-2)24-15-22-11-8-7-10(18)9-12(11)28-15/h7-9H,3-6H2,1-2H3,(H,22,24)(H,23,25)
InChIKey LXCHKJVKUPIUAL-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_451
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: C27162; Labnumber: SOK-1088; SBI_ID: SBI-000453
Temperature 308 °C